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

Systemtic Name: 4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-(6-piperidin-1-ylpyridin-3-yl)quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-7-[6-(1-piperidyl)-3-pyridyl]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-7-[6-(1-piperidinyl)-3-pyridinyl]-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-(6-piperidin-1-ylpyridin-3-yl)quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-7-(6-piperidino-3-pyridyl)quinoline-3-carbonitrile Formula: C30H26ClN7S MolecularWeight: 552.09234

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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=CN=C(C=C5)N6CCCCC6)Cl

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C4C=CC(=CC4=NC=C3C#N)C5=CN=C(C=C5)N6CCCCC6)Cl

InChI

InChI=1S/C30H26ClN7S/c1-37-14-11-33-30(37)39-27-9-7-23(16-25(27)31)36-29-22(17-32)19-34-26-15-20(5-8-24(26)29)21-6-10-28(35-18-21)38-12-3-2-4-13-38/h5-11,14-16,18-19H,2-4,12-13H2,1H3,(H,34,36)