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

Systemtic Name: 4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-pyrrolidin-1-yl-6-(2-pyrrolidin-1-ylethoxy)quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-7-pyrrolidin-1-yl-6-(2-pyrrolidin-1-ylethoxy)quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-7-(1-pyrrolidinyl)-6-[2-(1-pyrrolidinyl)ethoxy]-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-pyrrolidin-1-yl-6-(2-pyrrolidin-1-ylethoxy)quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-7-pyrrolidino-6-(2-pyrrolidinoethoxy)quinoline-3-carbonitrile Formula: C30H32ClN7OS MolecularWeight: 574.13938

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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)OCCN5CCCC5)N6CCCC6)C#N)Cl

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C(C=NC4=CC(=C(C=C43)OCCN5CCCC5)N6CCCC6)C#N)Cl

InChI

InChI=1S/C30H32ClN7OS/c1-36-13-8-33-30(36)40-28-7-6-22(16-24(28)31)35-29-21(19-32)20-34-25-18-26(38-11-4-5-12-38)27(17-23(25)29)39-15-14-37-9-2-3-10-37/h6-8,13,16-18,20H,2-5,9-12,14-15H2,1H3,(H,34,35)