tert-butyl 4-[2-(trifluoromethyl)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(trifluoromethyl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H21F3N2O3 MolecularWeight: 358.35545

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C17H21F3N2O3/c1-16(2,3)25-15(24)22-10-8-21(9-11-22)14(23)12-6-4-5-7-13(12)17(18,19)20/h4-7H,8-11H2,1-3H3