(phenylmethyl) 2-[4-[2-(trifluoromethyl)phenyl]carbonyl-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-[2-(trifluoromethyl)phenyl]carbonyl-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C22H23F3N2O3 MolecularWeight: 420.42483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CC=C2C(F)(F)F)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CC=C2C(F)(F)F)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H23F3N2O3/c23-22(24,25)19-10-5-4-9-18(19)21(29)27-12-6-11-26(13-14-27)15-20(28)30-16-17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2