4-methyl-2-[1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl]sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

Systemtic Name: 4-methyl-2-[1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl]sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile Openeye Name: 2-[2-(4-benzyl-1-piperidyl)-1-methyl-2-oxo-ethyl]sulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile CAS Name: 4-methyl-2-[[1-oxo-1-[4-(phenylmethyl)-1-piperidinyl]propan-2-yl]thio]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile IUPAC Name: 2-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile Traditional Name: 2-[[2-(4-benzylpiperidino)-2-keto-1-methyl-ethyl]thio]-4-methyl-1-pyrindan-3-carbonitrile Formula: C25H29N3OS MolecularWeight: 419.58226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=C1CCC2)SC(C)C(=O)N3CCC(CC3)CC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C(=NC2=C1CCC2)SC(C)C(=O)N3CCC(CC3)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C25H29N3OS/c1-17-21-9-6-10-23(21)27-24(22(17)16-26)30-18(2)25(29)28-13-11-20(12-14-28)15-19-7-4-3-5-8-19/h3-5,7-8,18,20H,6,9-15H2,1-2H3