tert-butyl 4-[3-azanyl-5-(trifluoromethyl)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-azanyl-5-(trifluoromethyl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-amino-5-(trifluoromethyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[3-amino-5-(trifluoromethyl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-amino-5-(trifluoromethyl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-amino-5-(trifluoromethyl)benzoyl]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)C2=CC(=CC(=C2)N)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C17H22F3N3O3/c1-16(2,3)26-15(25)23-6-4-22(5-7-23)14(24)11-8-12(17(18,19)20)10-13(21)9-11/h8-10H,4-7,21H2,1-3H3