4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-[4-[(4-methylpiperazin-1-yl)methyl]pyridin-2-yl]quinoline-3-carbonitrile

Systemtic Name: 4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-[4-[(4-methylpiperazin-1-yl)methyl]pyridin-2-yl]quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-7-[4-[(4-methylpiperazin-1-yl)methyl]-2-pyridyl]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-7-[4-[(4-methyl-1-piperazinyl)methyl]-2-pyridinyl]-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-[4-[(4-methylpiperazin-1-yl)methyl]pyridin-2-yl]quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-7-[4-[(4-methylpiperazino)methyl]-2-pyridyl]quinoline-3-carbonitrile Formula: C31H29ClN8S MolecularWeight: 581.13356

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC(=NC=C2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC(=C(C=C5)SC6=NC=CN6C)Cl)C#N

Isomeric SMILES

CN1CCN(CC1)CC2=CC(=NC=C2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC(=C(C=C5)SC6=NC=CN6C)Cl)C#N

InChI

InChI=1S/C31H29ClN8S/c1-38-11-13-40(14-12-38)20-21-7-8-34-27(15-21)22-3-5-25-28(16-22)36-19-23(18-33)30(25)37-24-4-6-29(26(32)17-24)41-31-35-9-10-39(31)2/h3-10,15-17,19H,11-14,20H2,1-2H3,(H,36,37)