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

Systemtic Name: 6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl-2-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydroisoquinolin-1-one CAS Name: 6,7-dimethoxy-4-[[4-(2-methoxyphenyl)-1-piperazinyl]-oxomethyl]-2-methyl-3-[4-(methylthio)phenyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-3-[4-(methylthio)phenyl]-3,4-dihydroisocarbostyril Formula: C31H35N3O5S MolecularWeight: 561.6917

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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=C4OC)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=C4OC)C5=CC=C(C=C5)SC

InChI

InChI=1S/C31H35N3O5S/c1-32-29(20-10-12-21(40-5)13-11-20)28(22-18-26(38-3)27(39-4)19-23(22)30(32)35)31(36)34-16-14-33(15-17-34)24-8-6-7-9-25(24)37-2/h6-13,18-19,28-29H,14-17H2,1-5H3