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

Systemtic Name: 4-[4-(2-chlorophenyl)piperazin-1-yl]carbonyl-2-cyclohexyl-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-cyclohexyl-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[[4-(2-chlorophenyl)-1-piperazinyl]-oxomethyl]-2-cyclohexyl-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-cyclohexyl-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-cyclohexyl-3-(4-methoxyphenyl)-3,4-dihydroisocarbostyril Formula: C33H36ClN3O3 MolecularWeight: 558.11024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2C4CCCCC4)C(=O)N5CCN(CC5)C6=CC=CC=C6Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2C4CCCCC4)C(=O)N5CCN(CC5)C6=CC=CC=C6Cl

InChI

InChI=1S/C33H36ClN3O3/c1-40-25-17-15-23(16-18-25)31-30(33(39)36-21-19-35(20-22-36)29-14-8-7-13-28(29)34)26-11-5-6-12-27(26)32(38)37(31)24-9-3-2-4-10-24/h5-8,11-18,24,30-31H,2-4,9-10,19-22H2,1H3