4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-azepan-2-one

Systemtic Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-azepan-2-one Openeye Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-azepan-2-one CAS Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-2-azepanone IUPAC Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylazepan-2-one Traditional Name: 4-[[3,5-bis(trifluoromethyl)benzyl]oxymethyl]-4-phenyl-azepan-2-one Formula: C22H21F6NO2 MolecularWeight: 445.398059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(=O)NC1)(COCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

C1CC(CC(=O)NC1)(COCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C22H21F6NO2/c23-21(24,25)17-9-15(10-18(11-17)22(26,27)28)13-31-14-20(16-5-2-1-3-6-16)7-4-8-29-19(30)12-20/h1-3,5-6,9-11H,4,7-8,12-14H2,(H,29,30)