4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-pyrrolidin-1-yl-6-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carbonitrile

Systemtic Name: 4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-pyrrolidin-1-yl-6-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-7-pyrrolidin-1-yl-6-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-7-(1-pyrrolidinyl)-6-[3-(1-pyrrolidinyl)propoxy]-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-pyrrolidin-1-yl-6-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-7-pyrrolidino-6-(3-pyrrolidinopropoxy)quinoline-3-carbonitrile Formula: C31H34ClN7OS MolecularWeight: 588.16596

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C(C=NC4=CC(=C(C=C43)OCCCN5CCCC5)N6CCCC6)C#N)Cl

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C(C=NC4=CC(=C(C=C43)OCCCN5CCCC5)N6CCCC6)C#N)Cl

InChI

InChI=1S/C31H34ClN7OS/c1-37-15-9-34-31(37)41-29-8-7-23(17-25(29)32)36-30-22(20-33)21-35-26-19-27(39-13-4-5-14-39)28(18-24(26)30)40-16-6-12-38-10-2-3-11-38/h7-9,15,17-19,21H,2-6,10-14,16H2,1H3,(H,35,36)