4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-[5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]furan-2-yl]quinoline-3-carbonitrile

Systemtic Name: 4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-[5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]furan-2-yl]quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-7-[5-[(4-pyrrolidin-1-yl-1-piperidyl)methyl]-2-furyl]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-7-[5-[[4-(1-pyrrolidinyl)-1-piperidinyl]methyl]-2-furanyl]-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-[5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]furan-2-yl]quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-7-[5-[(4-pyrrolidinopiperidino)methyl]-2-furyl]quinoline-3-carbonitrile Formula: C34H34ClN7OS MolecularWeight: 624.19806

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C4C=CC(=CC4=NC=C3C#N)C5=CC=C(O5)CN6CCC(CC6)N7CCCC7)Cl

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C4C=CC(=CC4=NC=C3C#N)C5=CC=C(O5)CN6CCC(CC6)N7CCCC7)Cl

InChI

InChI=1S/C34H34ClN7OS/c1-40-17-12-37-34(40)44-32-9-5-25(19-29(32)35)39-33-24(20-36)21-38-30-18-23(4-7-28(30)33)31-8-6-27(43-31)22-41-15-10-26(11-16-41)42-13-2-3-14-42/h4-9,12,17-19,21,26H,2-3,10-11,13-16,22H2,1H3,(H,38,39)