(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)carbonyl-azepan-2-one

Systemtic Name: (3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)carbonyl-azepan-2-one Openeye Name: (3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorobenzoyl)azepan-2-one CAS Name: (3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-[(4-fluorophenyl)-oxomethyl]-2-azepanone IUPAC Name: (3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorobenzoyl)azepan-2-one Traditional Name: (3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorobenzoyl)azepan-2-one Formula: C24H27FN2O4 MolecularWeight: 426.480583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)[C@H]3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)F)OC

InChI

InChI=1S/C24H27FN2O4/c1-30-21-13-17-10-12-26(15-18(17)14-22(21)31-2)20-5-3-4-11-27(24(20)29)23(28)16-6-8-19(25)9-7-16/h6-9,13-14,20H,3-5,10-12,15H2,1-2H3/t20-/m0/s1