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

Systemtic Name: 6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(4-benzylpiperazine-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-piperazinyl]methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(4-benzylpiperazine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(4-benzylpiperazine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-3,4-dihydroisocarbostyril Formula: C31H35N3O4S MolecularWeight: 545.6923

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(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)N3CCN(CC3)CC4=CC=CC=C4)C5=CC=C(C=C5)SC

InChI

InChI=1S/C31H35N3O4S/c1-32-29(22-10-12-23(39-4)13-11-22)28(24-18-26(37-2)27(38-3)19-25(24)30(32)35)31(36)34-16-14-33(15-17-34)20-21-8-6-5-7-9-21/h5-13,18-19,28-29H,14-17,20H2,1-4H3