4-[(3-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]carbonyl-1,4-diazepan-5-one

Systemtic Name: 4-[(3-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]carbonyl-1,4-diazepan-5-one Openeye Name: 4-[(3-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one CAS Name: 4-[(3-methoxyphenyl)methyl]-1-[oxo-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one IUPAC Name: 4-[(3-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one Traditional Name: 4-m-anisyl-1-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one Formula: C21H21F3N2O3 MolecularWeight: 406.39825

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCN(CCC2=O)C(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCN(CCC2=O)C(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H21F3N2O3/c1-29-18-7-2-4-15(12-18)14-26-11-10-25(9-8-19(26)27)20(28)16-5-3-6-17(13-16)21(22,23)24/h2-7,12-13H,8-11,14H2,1H3