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

Systemtic Name: 4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-piperidin-1-yl-6-(2-piperidin-1-ylethoxy)quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-7-(1-piperidyl)-6-[2-(1-piperidyl)ethoxy]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-7-(1-piperidinyl)-6-[2-(1-piperidinyl)ethoxy]-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-piperidin-1-yl-6-(2-piperidin-1-ylethoxy)quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-7-piperidino-6-(2-piperidinoethoxy)quinoline-3-carbonitrile Formula: C32H36ClN7OS MolecularWeight: 602.19254

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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)OCCN5CCCCC5)N6CCCCC6)C#N)Cl

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C(C=NC4=CC(=C(C=C43)OCCN5CCCCC5)N6CCCCC6)C#N)Cl

InChI

InChI=1S/C32H36ClN7OS/c1-38-15-10-35-32(38)42-30-9-8-24(18-26(30)33)37-31-23(21-34)22-36-27-20-28(40-13-6-3-7-14-40)29(19-25(27)31)41-17-16-39-11-4-2-5-12-39/h8-10,15,18-20,22H,2-7,11-14,16-17H2,1H3,(H,36,37)