2-cyclohexyl-3-(4-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-cyclohexyl-3-(4-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-3,4-dihydroisoquinolin-1-one Openeye Name: 2-cyclohexyl-3-(4-methoxyphenyl)-4-[4-(2-pyridyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1-one CAS Name: 2-cyclohexyl-3-(4-methoxyphenyl)-4-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-cyclohexyl-3-(4-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 2-cyclohexyl-3-(4-methoxyphenyl)-4-[4-(2-pyridyl)piperazine-1-carbonyl]-3,4-dihydroisocarbostyril Formula: C32H36N4O3 MolecularWeight: 524.65324

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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=N6

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2C4CCCCC4)C(=O)N5CCN(CC5)C6=CC=CC=N6

InChI

InChI=1S/C32H36N4O3/c1-39-25-16-14-23(15-17-25)30-29(32(38)35-21-19-34(20-22-35)28-13-7-8-18-33-28)26-11-5-6-12-27(26)31(37)36(30)24-9-3-2-4-10-24/h5-8,11-18,24,29-30H,2-4,9-10,19-22H2,1H3