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

Systemtic Name: 6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-3,4-dihydroisoquinolin-1-one Openeye Name: 6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1-one CAS Name: 6,7-dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-4-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 6,7-dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3,4-dihydroisocarbostyril Formula: C30H32N4O6S MolecularWeight: 576.66328

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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=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)SC

Isomeric SMILES

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)SC

InChI

InChI=1S/C30H32N4O6S/c1-31-28(19-5-11-22(41-4)12-6-19)27(23-17-25(39-2)26(40-3)18-24(23)29(31)35)30(36)33-15-13-32(14-16-33)20-7-9-21(10-8-20)34(37)38/h5-12,17-18,27-28H,13-16H2,1-4H3