1-[4-[3-(1,3-dihydroisoindol-2-ylcarbonyl)-6-methyl-pyridin-2-yl]piperidin-1-yl]-2-(2-phenylethenylsulfanyl)ethanone

Systemtic Name: 1-[4-[3-(1,3-dihydroisoindol-2-ylcarbonyl)-6-methyl-pyridin-2-yl]piperidin-1-yl]-2-(2-phenylethenylsulfanyl)ethanone Openeye Name: 1-[4-[3-(isoindoline-2-carbonyl)-6-methyl-2-pyridyl]-1-piperidyl]-2-styrylsulfanyl-ethanone CAS Name: 1-[4-[3-[1,3-dihydroisoindol-2-yl(oxo)methyl]-6-methyl-2-pyridinyl]-1-piperidinyl]-2-(2-phenylethenylthio)ethanone IUPAC Name: 1-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methylpyridin-2-yl]piperidin-1-yl]-2-(2-phenylethenylsulfanyl)ethanone Traditional Name: 1-[4-[3-(isoindoline-2-carbonyl)-6-methyl-2-pyridyl]piperidino]-2-(styrylthio)ethanone Formula: C30H31N3O2S MolecularWeight: 497.65104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)N2CC3=CC=CC=C3C2)C4CCN(CC4)C(=O)CSC=CC5=CC=CC=C5

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)N2CC3=CC=CC=C3C2)C4CCN(CC4)C(=O)CSC=CC5=CC=CC=C5

InChI

InChI=1S/C30H31N3O2S/c1-22-11-12-27(30(35)33-19-25-9-5-6-10-26(25)20-33)29(31-22)24-13-16-32(17-14-24)28(34)21-36-18-15-23-7-3-2-4-8-23/h2-12,15,18,24H,13-14,16-17,19-21H2,1H3