6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-4-[4-(phenylmethyl)piperidin-1-yl]carbonyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-4-[4-(phenylmethyl)piperidin-1-yl]carbonyl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(4-benzylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydroisoquinolin-1-one CAS Name: 6,7-dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-4-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(4-benzylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(4-benzylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-3,4-dihydroisocarbostyril Formula: C32H36N2O4S MolecularWeight: 544.70424

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCC(CC3)CC4=CC=CC=C4)C5=CC=C(C=C5)SC

Isomeric SMILES

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCC(CC3)CC4=CC=CC=C4)C5=CC=C(C=C5)SC

InChI

InChI=1S/C32H36N2O4S/c1-33-30(23-10-12-24(39-4)13-11-23)29(25-19-27(37-2)28(38-3)20-26(25)31(33)35)32(36)34-16-14-22(15-17-34)18-21-8-6-5-7-9-21/h5-13,19-20,22,29-30H,14-18H2,1-4H3