4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-[6-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl]quinoline-3-carbonitrile

Systemtic Name: 4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-[6-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl]quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-7-[6-[(4-ethylpiperazin-1-yl)methyl]-2-pyridyl]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-7-[6-[(4-ethyl-1-piperazinyl)methyl]-2-pyridinyl]-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-[6-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl]quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-7-[6-[(4-ethylpiperazino)methyl]-2-pyridyl]quinoline-3-carbonitrile Formula: C32H31ClN8S MolecularWeight: 595.16014

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=CC=CC(=N2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC(=C(C=C5)SC6=NC=CN6C)Cl)C#N

Isomeric SMILES

CCN1CCN(CC1)CC2=CC=CC(=N2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC(=C(C=C5)SC6=NC=CN6C)Cl)C#N

InChI

InChI=1S/C32H31ClN8S/c1-3-40-13-15-41(16-14-40)21-25-5-4-6-28(37-25)22-7-9-26-29(17-22)36-20-23(19-34)31(26)38-24-8-10-30(27(33)18-24)42-32-35-11-12-39(32)2/h4-12,17-18,20H,3,13-16,21H2,1-2H3,(H,36,38)