Chembase list of 866358 unique molecular structures

methyl 3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxylate

$$$$ Data

M. F.

C11H10N2O3

Suppliers	Catalog Number
Enamine	EN300-15448

Database	Data ID
PubChem	2119877

M. W.

218.2087

CAS

Similarity

N/A

ID: 250902

methyl 4-(cyanomethoxy)benzoate

$$$$ Data

M. F.

C10H9NO3

Suppliers	Catalog Number
Enamine	EN300-15451

Database	Data ID
PubChem	594916

M. W.

191.18336

CAS

Similarity

N/A

ID: 250903

methyl 4-(thiophen-2-yl)butanoate

$$$$ Data

M. F.

C9H12O2S

Suppliers	Catalog Number
Enamine	EN300-15453

Database	Data ID
PubChem	140766

M. W.

184.25538

CAS

20828-66-4

Similarity

N/A

ID: 250904

methyl 2-(4-fluorophenyl)quinoline-4-carboxylate

$$$$ Data

M. F.

C17H12FNO2

Suppliers	Catalog Number
Enamine	EN300-15465

Database	Data ID
PubChem	3588153

M. W.

281.2810832

CAS

Similarity

N/A

ID: 250905

4,5-dichloro-2-(2-phenoxyethyl)-2,3-dihydropyridazin-3-one

$$$$ Data

M. F.

C12H10Cl2N2O2

Suppliers	Catalog Number
Enamine	EN300-15472

Database	Data ID
PubChem	7131631

M. W.

285.126

CAS

Similarity

N/A

ID: 250906

2-{[(2-bromophenyl)methyl]sulfanyl}acetic acid

$$$$ Data

M. F.

C9H9BrO2S

Suppliers	Catalog Number
Enamine	EN300-15487

Database	Data ID
PubChem	875722

M. W.

261.13556

CAS

Similarity

N/A

ID: 250907

1-(4-ethoxyphenoxymethyl)-4-nitrobenzene

$$$$ Data

M. F.

C15H15NO4

Suppliers	Catalog Number
Enamine	EN300-15511

Database	Data ID
PubChem	894817

M. W.

273.2839

CAS

Similarity

N/A

ID: 250908

1-(4-bromophenoxymethyl)-4-nitrobenzene

$$$$ Data

M. F.

C13H10BrNO3

Suppliers	Catalog Number
Enamine	EN300-15516

Database	Data ID
PubChem	242757

M. W.

308.1274

CAS

Similarity

N/A

ID: 250909

1-nitro-4-(phenoxymethyl)benzene

$$$$ Data

M. F.

C13H11NO3

Suppliers	Catalog Number
Enamine	EN300-15518

Database	Data ID
PubChem	99674

M. W.

229.23134

CAS

Similarity

N/A

ID: 250910

1-(4-methoxyphenoxymethyl)-4-nitrobenzene

$$$$ Data

M. F.

C14H13NO4

Suppliers	Catalog Number
Enamine	EN300-15520

Database	Data ID
PubChem	824911

M. W.

259.25732

CAS

Similarity

N/A

ID: 250911

N-(2-cyanophenyl)acetamide

$$$$ Data

M. F.

C9H8N2O

Suppliers	Catalog Number
Enamine	EN300-15524

Database	Data ID
PubChem	251992

M. W.

160.17262

CAS

25116-00-1

Similarity

N/A

ID: 250912

N-(4-bromophenyl)benzamide

$$$$ Data

M. F.

C13H10BrNO

Suppliers	Catalog Number
Enamine	EN300-15538

Database	Data ID
PubChem	101357

M. W.

276.1286

CAS

Similarity

N/A

ID: 250913

2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)-N-(3-methylphenyl)acetamide

$$$$ Data

M. F.

C17H14N2O3

Suppliers	Catalog Number
Enamine	EN300-15539

Database	Data ID
PubChem	1713189

M. W.

294.30466

CAS

Similarity

N/A

ID: 250914

N-{3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl}cyclopropanecarboxamide

$$$$ Data

M. F.

C18H20N2O4S

Suppliers	Catalog Number
Enamine	EN300-15559

Database	Data ID
PubChem	7908202

M. W.

360.4274

CAS

Similarity

N/A

ID: 250915

(2E)-N-(2-hydroxyethyl)-3-(thiophen-2-yl)prop-2-enamide

$$$$ Data

M. F.

C9H11NO2S

Suppliers	Catalog Number
Enamine	EN300-15592

Database	Data ID
PubChem	17558044

M. W.

197.25414

CAS

Similarity

N/A

ID: 250916

2-methoxyacetamide

$$$$ Data

M. F.

C3H7NO2

Suppliers	Catalog Number
Enamine	EN300-15623

Database	Data ID
PubChem	140060

M. W.

89.09318

CAS

Similarity

N/A

ID: 250917

(2E)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enamide

$$$$ Data

M. F.

C12H13N3O

Suppliers	Catalog Number
Enamine	EN300-15632

Database	Data ID
PubChem	5702492

M. W.

215.25112

CAS

Similarity

N/A

ID: 250918

(5E)-5-{[4-(difluoromethoxy)-3-methoxyphenyl]methylidene}-1,3-thiazolidine-2,4-d...

$$$$ Data

M. F.

C12H9F2NO4S

Suppliers	Catalog Number
Enamine	EN300-15633

Database	Data ID
PubChem	39869305

M. W.

301.2659664

CAS

Similarity

N/A

ID: 250919

1-cyclopropyl-5-(2-hydroxybenzoyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile

$$$$ Data

M. F.

C16H12N2O3

Suppliers	Catalog Number
Enamine	EN300-15648

Database	Data ID
PubChem	7131632

M. W.

280.27808

CAS

Similarity

N/A

ID: 250920

10-(piperidin-1-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.0²,⁶

$$$$ Data

M. F.

C15H19N3OS

Suppliers	Catalog Number
Enamine	EN300-15652

Database	Data ID
PubChem	2452349

M. W.

289.39586

CAS

Similarity

N/A

ID: 250921

2-(piperidin-1-ylmethyl)-5-(thiophen-2-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

$$$$ Data

M. F.

C16H17N3OS2

Suppliers	Catalog Number
Enamine	EN300-15653

Database	Data ID
PubChem	2097897

M. W.

331.45568

CAS

Similarity

N/A

ID: 250922

11-methyl-5-(morpholin-4-ylmethyl)-8-thia-4,6-diazatricyclo[7.4.0.0²,...

$$$$ Data

M. F.

C16H21N3O2S

Suppliers	Catalog Number
Enamine	EN300-15656

Database	Data ID
PubChem	3592690

M. W.

319.42184

CAS

Similarity

N/A

ID: 250923

ethyl 5-methyl-2-(morpholin-4-ylmethyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-ca...

$$$$ Data

M. F.

C15H19N3O4S

Suppliers	Catalog Number
Enamine	EN300-15657

Database	Data ID
PubChem	338125

M. W.

337.39406

CAS

Similarity

N/A

ID: 250924

N-{4-[(1E)-(hydroxyimino)methyl]phenyl}acetamide

$$$$ Data

M. F.

C9H10N2O2

Suppliers	Catalog Number
Enamine	EN300-15675

Database	Data ID
PubChem	6876523

M. W.

178.1879

CAS

Similarity

N/A

ID: 250925

N,N-diethyl-4-[(1E)-(hydroxyimino)methyl]aniline

$$$$ Data

M. F.

C11H16N2O

Suppliers	Catalog Number
Alfa Aesar	L07961
Enamine	EN300-15680

Database	Data ID
PubChem	6876690

M. W.

192.25754

CAS

54376-65-7

Similarity

N/A

ID: 250926

(E)-N-[(3,4-dimethoxyphenyl)methylidene]hydroxylamine

$$$$ Data

M. F.

C9H11NO3

Suppliers	Catalog Number
Enamine	EN300-15686

Database	Data ID
PubChem	6861469

M. W.

181.18854

CAS

2169-98-4

Similarity

N/A

ID: 250927

N-benzyl-N-ethyl-4-[(1E)-(hydroxyimino)methyl]aniline

$$$$ Data

M. F.

C16H18N2O

Suppliers	Catalog Number
Enamine	EN300-15691

Database	Data ID
PubChem	6904184

M. W.

254.32692

CAS

Similarity

N/A

ID: 250928

(E)-N-[(3-phenoxyphenyl)methylidene]hydroxylamine

$$$$ Data

M. F.

C13H11NO2

Suppliers	Catalog Number
Enamine	EN300-15695

Database	Data ID
PubChem	6904177

M. W.

213.23194

CAS

Similarity

N/A

ID: 250929

(E)-N-[(pentafluorophenyl)methylidene]hydroxylamine

$$$$ Data

M. F.

C7H2F5NO

Suppliers	Catalog Number
Enamine	EN300-15697

Database	Data ID
PubChem	6883117

M. W.

211.088896

CAS

Similarity

N/A

ID: 250930

(E)-N-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}hydroxylamine

$$$$ Data

M. F.

C15H15NO3

Suppliers	Catalog Number
Enamine	EN300-15698

Database	Data ID
PubChem	6898836

M. W.

257.2845

CAS

81259-54-3

Similarity

N/A

ID: 250931

(E)-N-[(4-ethoxyphenyl)methylidene]hydroxylamine

$$$$ Data

M. F.

C9H11NO2

Suppliers	Catalog Number
Enamine	EN300-15699

Database	Data ID
PubChem	6904186

M. W.

165.18914

CAS

61096-94-4

Similarity

N/A

ID: 250932

(E)-N-[(2-methylphenyl)methylidene]hydroxylamine

$$$$ Data

M. F.

C8H9NO

Suppliers	Catalog Number
Enamine	EN300-15702

Database	Data ID
PubChem	6904185

M. W.

135.16316

CAS

Similarity

N/A

ID: 250933

(E)-N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine

$$$$ Data

M. F.

C12H11NO2

Suppliers	Catalog Number
Enamine	EN300-15703

Database	Data ID
PubChem	6898846

M. W.

201.22124

CAS

99806-91-4

Similarity

N/A

ID: 250934

(E)-N-[(4-ethylphenyl)methylidene]hydroxylamine

$$$$ Data

M. F.

C9H11NO

Suppliers	Catalog Number
Enamine	EN300-15705

Database	Data ID
PubChem	6904166

M. W.

149.18974

CAS

61946-88-1

Similarity

N/A

ID: 250935

(E)-N-{[3-(benzyloxy)-4-methoxyphenyl]methylidene}hydroxylamine

$$$$ Data

M. F.

C15H15NO3

Suppliers	Catalog Number
Enamine	EN300-15708

Database	Data ID
PubChem	9690698

M. W.

257.2845

CAS

55667-17-9

Similarity

N/A

ID: 250936

2-{4-[(1E)-(hydroxyimino)methyl]-2-methoxyphenoxy}-N-(4-methoxyphenyl)acetamide

$$$$ Data

M. F.

C17H18N2O5

Suppliers	Catalog Number
Enamine	EN300-15710

Database	Data ID
PubChem	6906781

M. W.

330.33522

CAS

Similarity

N/A

ID: 250937

2-{4-[(1E)-(hydroxyimino)methyl]-2-methoxyphenoxy}-N-(2,4,6-trimethylphenyl)acet...

$$$$ Data

M. F.

C19H22N2O4

Suppliers	Catalog Number
Enamine	EN300-15711

Database	Data ID
PubChem	6903754

M. W.

342.38898

CAS

Similarity

N/A

ID: 250938

3,4-dichloro-N-(1-phenylethyl)benzene-1-sulfonamide

$$$$ Data

M. F.

C14H13Cl2NO2S

Suppliers	Catalog Number
Enamine	EN300-15753

Database	Data ID
PubChem	3879342

M. W.

330.22952

CAS

Similarity

N/A

ID: 250939

N-[(4-chlorophenyl)methyl]benzenesulfonamide

$$$$ Data

M. F.

C13H12ClNO2S

Suppliers	Catalog Number
Enamine	EN300-15761

Database	Data ID
PubChem	706752

M. W.

281.75788

CAS

Similarity

N/A

ID: 250940

N-benzylthiophene-2-sulfonamide

$$$$ Data

M. F.

C11H11NO2S2

Suppliers	Catalog Number
Enamine	EN300-15763

Database	Data ID
PubChem	765826

M. W.

253.34054

CAS

Similarity

N/A

ID: 250941

3-hydroxy-2-(naphthalene-2-sulfonamido)butanoic acid

$$$$ Data

M. F.

C14H15NO5S

Suppliers	Catalog Number
Enamine	EN300-15776

Database	Data ID
PubChem	4840496

M. W.

309.3376

CAS

Similarity

N/A

ID: 250942

2-(3,4-dichlorobenzenesulfonamido)-3-hydroxybutanoic acid

$$$$ Data

M. F.

C10H11Cl2NO5S

Suppliers	Catalog Number
Enamine	EN300-15781

Database	Data ID
PubChem	4839933

M. W.

328.16904

CAS

Similarity

N/A

ID: 250943

2-(3,4-dimethylbenzenesulfonamido)-3-hydroxybutanoic acid

$$$$ Data

M. F.

C12H17NO5S

Suppliers	Catalog Number
Enamine	EN300-15782

Database	Data ID
PubChem	4851544

M. W.

287.33208

CAS

Similarity

N/A

ID: 250944

(E)-N-butyl-2-phenylethene-1-sulfonamide

$$$$ Data

M. F.

C12H17NO2S

Suppliers	Catalog Number
Enamine	EN300-15797

Database	Data ID
PubChem	2442127

M. W.

239.33388

CAS

Similarity

N/A

ID: 250945

1-(3,4-dimethoxybenzenesulfonyl)piperidine-4-carboxylic acid

$$$$ Data

M. F.

C14H19NO6S

Suppliers	Catalog Number
Enamine	EN300-15803

Database	Data ID
PubChem	754890

M. W.

329.36876

CAS

Similarity

N/A

ID: 250946

4-ethoxy-N-(3-methoxypropyl)benzene-1-sulfonamide

$$$$ Data

M. F.

C12H19NO4S

Suppliers	Catalog Number
Enamine	EN300-15810

Database	Data ID
PubChem	2439947

M. W.

273.34856

CAS

Similarity

N/A

ID: 250947

3-chloro-N-(3-methoxypropyl)benzene-1-sulfonamide

$$$$ Data

M. F.

C10H14ClNO3S

Suppliers	Catalog Number
Enamine	EN300-15822

Database	Data ID
PubChem	2507722

M. W.

263.74106

CAS

Similarity

N/A

ID: 250948

N-(3-methylbutyl)benzenesulfonamide

$$$$ Data

M. F.

C11H17NO2S

Suppliers	Catalog Number
Enamine	EN300-15828

Database	Data ID
PubChem	835972

M. W.

227.32318

CAS

Similarity

N/A

ID: 250949

N,2,3,5,6-pentamethylbenzene-1-sulfonamide

$$$$ Data

M. F.

C11H17NO2S

Suppliers	Catalog Number
Enamine	EN300-15851

Database	Data ID
PubChem	2118777

M. W.

227.32318

CAS

Similarity

N/A

ID: 250950

N,2,4,6-tetramethylbenzene-1-sulfonamide

$$$$ Data

M. F.

C10H15NO2S

Suppliers	Catalog Number
Enamine	EN300-15852

Database	Data ID
PubChem	799296

M. W.

213.2966

CAS

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified