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500008-45-7 molecular structure
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3-bromo-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide

ChemBase ID: 156912
Molecular Formular: C18H14BrCl2N5O2
Molecular Mass: 483.14606
Monoisotopic Mass: 480.97079207
SMILES and InChIs

SMILES:
Cc1cc(cc(c1NC(=O)c1cc(nn1c1c(cccn1)Cl)Br)C(=O)NC)Cl
Canonical SMILES:
CNC(=O)c1cc(Cl)cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C
InChI:
InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)
InChIKey:
PSOVNZZNOMJUBI-UHFFFAOYSA-N

Cite this record

CBID:156912 http://www.chembase.cn/molecule-156912.html

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