tert-butyl 4-[[4-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[4-(trifluoromethyl)anilino]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate Traditional Name: 4-[[4-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H22F3N3O3 MolecularWeight: 373.37009

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C17H22F3N3O3/c1-16(2,3)26-15(25)23-10-8-22(9-11-23)14(24)21-13-6-4-12(5-7-13)17(18,19)20/h4-7H,8-11H2,1-3H3,(H,21,24)