3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]azepan-2-one

Systemtic Name: 3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]azepan-2-one Openeye Name: 3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]azepan-2-one CAS Name: 3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]-2-azepanone IUPAC Name: 3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]azepan-2-one Traditional Name: 3-[4-[4-(trifluoromethyl)phenyl]benzyl]azepan-2-one Formula: C20H20F3NO MolecularWeight: 347.37411

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)CC2=CC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CCNC(=O)C(C1)CC2=CC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H20F3NO/c21-20(22,23)18-10-8-16(9-11-18)15-6-4-14(5-7-15)13-17-3-1-2-12-24-19(17)25/h4-11,17H,1-3,12-13H2,(H,24,25)