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380843-75-4 molecular structure
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4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-2-carbonitrile

ChemBase ID: 72460
Molecular Formular: C26H29Cl2N5O3
Molecular Mass: 530.44616
Monoisotopic Mass: 529.16474517
SMILES and InChIs

SMILES:
c1c(nc2c(c1Nc1cc(c(cc1Cl)Cl)OC)cc(c(c2)OCCCN1CCN(CC1)C)OC)C#N
Canonical SMILES:
COc1cc2c(cc(nc2cc1OCCCN1CCN(CC1)C)C#N)Nc1cc(OC)c(cc1Cl)Cl
InChI:
InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-26-14-22-18(12-25(26)35-3)21(11-17(16-29)30-22)31-23-15-24(34-2)20(28)13-19(23)27/h11-15H,4-10H2,1-3H3,(H,30,31)
InChIKey:
ALUXPRDJABOEAG-UHFFFAOYSA-N

Cite this record

CBID:72460 http://www.chembase.cn/molecule-72460.html

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