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

Systemtic Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]-6,7-dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-3,4-dihydroisocarbostyril Formula: C30H32FN3O4S MolecularWeight: 549.656183

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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)F)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)F)C5=CC=C(C=C5)SC

InChI

InChI=1S/C30H32FN3O4S/c1-32-28(19-5-11-22(39-4)12-6-19)27(23-17-25(37-2)26(38-3)18-24(23)29(32)35)30(36)34-15-13-33(14-16-34)21-9-7-20(31)8-10-21/h5-12,17-18,27-28H,13-16H2,1-4H3