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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=NC=C(C=C2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC(=C(C=C5)SC6=NC=CN6C)Cl)C#N

Isomeric SMILES

CCN1CCN(CC1)CC2=NC=C(C=C2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC(=C(C=C5)SC6=NC=CN6C)Cl)C#N

InChI

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