4-(azepan-1-ylcarbonyl)-2-cyclohexyl-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one

Systemtic Name: 4-(azepan-1-ylcarbonyl)-2-cyclohexyl-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(azepane-1-carbonyl)-2-cyclohexyl-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[1-azepanyl(oxo)methyl]-2-cyclohexyl-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(azepane-1-carbonyl)-2-cyclohexyl-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(azepane-1-carbonyl)-2-cyclohexyl-3-(4-methoxyphenyl)-3,4-dihydroisocarbostyril Formula: C29H36N2O3 MolecularWeight: 460.60774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2C4CCCCC4)C(=O)N5CCCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2C4CCCCC4)C(=O)N5CCCCCC5

InChI

InChI=1S/C29H36N2O3/c1-34-23-17-15-21(16-18-23)27-26(29(33)30-19-9-2-3-10-20-30)24-13-7-8-14-25(24)28(32)31(27)22-11-5-4-6-12-22/h7-8,13-18,22,26-27H,2-6,9-12,19-20H2,1H3