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

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-6,7-dimethoxy-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methyl-3-(2-thienyl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-6,7-dimethoxy-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Traditional Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methyl-3-(2-thienyl)-3,4-dihydroisocarbostyril Formula: C27H28ClN3O4S MolecularWeight: 526.04692

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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=C4)Cl)C5=CC=CS5

Isomeric SMILES

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)C5=CC=CS5

InChI

InChI=1S/C27H28ClN3O4S/c1-29-25(23-8-5-13-36-23)24(19-15-21(34-2)22(35-3)16-20(19)26(29)32)27(33)31-11-9-30(10-12-31)18-7-4-6-17(28)14-18/h4-8,13-16,24-25H,9-12H2,1-3H3