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

Systemtic Name: 2-cyclohexyl-3-(4-methoxyphenyl)-4-[4-(phenylmethyl)piperidin-1-yl]carbonyl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(4-benzylpiperidine-1-carbonyl)-2-cyclohexyl-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one CAS Name: 2-cyclohexyl-3-(4-methoxyphenyl)-4-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(4-benzylpiperidine-1-carbonyl)-2-cyclohexyl-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(4-benzylpiperidine-1-carbonyl)-2-cyclohexyl-3-(4-methoxyphenyl)-3,4-dihydroisocarbostyril Formula: C35H40N2O3 MolecularWeight: 536.7037

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2C4CCCCC4)C(=O)N5CCC(CC5)CC6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2C4CCCCC4)C(=O)N5CCC(CC5)CC6=CC=CC=C6

InChI

InChI=1S/C35H40N2O3/c1-40-29-18-16-27(17-19-29)33-32(35(39)36-22-20-26(21-23-36)24-25-10-4-2-5-11-25)30-14-8-9-15-31(30)34(38)37(33)28-12-6-3-7-13-28/h2,4-5,8-11,14-19,26,28,32-33H,3,6-7,12-13,20-24H2,1H3