N-(2,6-diethylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

Systemtic Name: N-(2,6-diethylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Openeye Name: N-(2,6-diethylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide CAS Name: N-(2,6-diethylphenyl)-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarboxamide IUPAC Name: N-(2,6-diethylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Traditional Name: N-(2,6-diethylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Formula: C22H26F3N3O MolecularWeight: 405.45655

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H26F3N3O/c1-3-16-7-5-8-17(4-2)20(16)26-21(29)28-13-11-27(12-14-28)19-10-6-9-18(15-19)22(23,24)25/h5-10,15H,3-4,11-14H2,1-2H3,(H,26,29)