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

Systemtic Name: 4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-piperidin-1-yl-6-(3-piperidin-1-ylpropoxy)quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-7-(1-piperidyl)-6-[3-(1-piperidyl)propoxy]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-7-(1-piperidinyl)-6-[3-(1-piperidinyl)propoxy]-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-piperidin-1-yl-6-(3-piperidin-1-ylpropoxy)quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-7-piperidino-6-(3-piperidinopropoxy)quinoline-3-carbonitrile Formula: C33H38ClN7OS MolecularWeight: 616.21912

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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)OCCCN5CCCCC5)N6CCCCC6)C#N)Cl

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C(C=NC4=CC(=C(C=C43)OCCCN5CCCCC5)N6CCCCC6)C#N)Cl

InChI

InChI=1S/C33H38ClN7OS/c1-39-17-11-36-33(39)43-31-10-9-25(19-27(31)34)38-32-24(22-35)23-37-28-21-29(41-15-6-3-7-16-41)30(20-26(28)32)42-18-8-14-40-12-4-2-5-13-40/h9-11,17,19-21,23H,2-8,12-16,18H2,1H3,(H,37,38)