tert-butyl 4-[2-[[3-(trifluoromethyl)phenyl]amino]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[[3-(trifluoromethyl)phenyl]amino]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[3-(trifluoromethyl)anilino]benzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[2-[3-(trifluoromethyl)anilino]phenyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[3-(trifluoromethyl)anilino]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[3-(trifluoromethyl)anilino]benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H26F3N3O3 MolecularWeight: 449.46605

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C23H26F3N3O3/c1-22(2,3)32-21(31)29-13-11-28(12-14-29)20(30)18-9-4-5-10-19(18)27-17-8-6-7-16(15-17)23(24,25)26/h4-10,15,27H,11-14H2,1-3H3