4-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1-one CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1-one Traditional Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisocarbostyril Formula: C28H28ClN3O3 MolecularWeight: 489.99322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28ClN3O3/c1-30-26(19-10-12-22(35-2)13-11-19)25(23-8-3-4-9-24(23)27(30)33)28(34)32-16-14-31(15-17-32)21-7-5-6-20(29)18-21/h3-13,18,25-26H,14-17H2,1-2H3