6-[[2-[4-(4-chlorophenyl)carbonylpiperidin-1-yl]ethylamino]methyl]-2-methylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-[[2-[4-(4-chlorophenyl)carbonylpiperidin-1-yl]ethylamino]methyl]-2-methylsulfanyl-pyridine-3-carbonitrile Openeye Name: 6-[[2-[4-(4-chlorobenzoyl)-1-piperidyl]ethylamino]methyl]-2-methylsulfanyl-pyridine-3-carbonitrile CAS Name: 6-[[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperidinyl]ethylamino]methyl]-2-(methylthio)-3-pyridinecarbonitrile IUPAC Name: 6-[[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethylamino]methyl]-2-methylsulfanylpyridine-3-carbonitrile Traditional Name: 6-[[2-[4-(4-chlorobenzoyl)piperidino]ethylamino]methyl]-2-(methylthio)nicotinonitrile Formula: C22H25ClN4OS MolecularWeight: 428.9781

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=N1)CNCCN2CCC(CC2)C(=O)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

CSC1=C(C=CC(=N1)CNCCN2CCC(CC2)C(=O)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C22H25ClN4OS/c1-29-22-18(14-24)4-7-20(26-22)15-25-10-13-27-11-8-17(9-12-27)21(28)16-2-5-19(23)6-3-16/h2-7,17,25H,8-13,15H2,1H3