5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-[(3-fluorophenyl)methyl]azepan-2-one

Systemtic Name: 5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-[(3-fluorophenyl)methyl]azepan-2-one Openeye Name: 5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-[(3-fluorophenyl)methyl]azepan-2-one CAS Name: 5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-[(3-fluorophenyl)methyl]-2-azepanone IUPAC Name: 5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-[(3-fluorophenyl)methyl]azepan-2-one Traditional Name: 1-(3-fluorobenzyl)-5-[homoveratryl(methyl)amino]azepan-2-one Formula: C24H31FN2O3 MolecularWeight: 414.512943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2CCC(=O)N(CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C2CCC(=O)N(CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C24H31FN2O3/c1-26(13-11-18-7-9-22(29-2)23(16-18)30-3)21-8-10-24(28)27(14-12-21)17-19-5-4-6-20(25)15-19/h4-7,9,15-16,21H,8,10-14,17H2,1-3H3