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

Systemtic Name: 2-cyclohexyl-3-(4-methoxyphenyl)-4-(3-methylpiperidin-1-yl)carbonyl-3,4-dihydroisoquinolin-1-one Openeye Name: 2-cyclohexyl-3-(4-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)-3,4-dihydroisoquinolin-1-one CAS Name: 2-cyclohexyl-3-(4-methoxyphenyl)-4-[(3-methyl-1-piperidinyl)-oxomethyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-cyclohexyl-3-(4-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 2-cyclohexyl-3-(4-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)-3,4-dihydroisocarbostyril Formula: C29H36N2O3 MolecularWeight: 460.60774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)C4CCCCC4)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1CCCN(C1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)C4CCCCC4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C29H36N2O3/c1-20-9-8-18-30(19-20)29(33)26-24-12-6-7-13-25(24)28(32)31(22-10-4-3-5-11-22)27(26)21-14-16-23(34-2)17-15-21/h6-7,12-17,20,22,26-27H,3-5,8-11,18-19H2,1-2H3