6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-3,4-dihydroisoquinolin-1-one Openeye Name: 6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-4-[4-(2-pyridyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1-one CAS Name: 6,7-dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-4-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 6,7-dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-4-[4-(2-pyridyl)piperazine-1-carbonyl]-3,4-dihydroisocarbostyril Formula: C29H32N4O4S MolecularWeight: 532.65378

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=CC=N4)C5=CC=C(C=C5)SC

Isomeric SMILES

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=CC=N4)C5=CC=C(C=C5)SC

InChI

InChI=1S/C29H32N4O4S/c1-31-27(19-8-10-20(38-4)11-9-19)26(21-17-23(36-2)24(37-3)18-22(21)28(31)34)29(35)33-15-13-32(14-16-33)25-7-5-6-12-30-25/h5-12,17-18,26-27H,13-16H2,1-4H3