4-(azepan-1-ylcarbonyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one

Systemtic Name: 4-(azepan-1-ylcarbonyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(azepane-1-carbonyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[1-azepanyl(oxo)methyl]-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(azepane-1-carbonyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(azepane-1-carbonyl)-2-(4-fluorobenzyl)-3-(4-methoxyphenyl)-3,4-dihydroisocarbostyril Formula: C30H31FN2O3 MolecularWeight: 486.577143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F)C(=O)N5CCCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F)C(=O)N5CCCCCC5

InChI

InChI=1S/C30H31FN2O3/c1-36-24-16-12-22(13-17-24)28-27(30(35)32-18-6-2-3-7-19-32)25-8-4-5-9-26(25)29(34)33(28)20-21-10-14-23(31)15-11-21/h4-5,8-17,27-28H,2-3,6-7,18-20H2,1H3