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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2CCC(=O)N(CC2)CC3=CC=CC=C3F

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C2CCC(=O)N(CC2)CC3=CC=CC=C3F

InChI

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