N-(2-cyanoethyl)-N-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide

Systemtic Name: N-(2-cyanoethyl)-N-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide Openeye Name: N-(2-cyanoethyl)-N-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide CAS Name: N-(2-cyanoethyl)-N-phenyl-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]propanamide IUPAC Name: N-(2-cyanoethyl)-N-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide Traditional Name: N-(2-cyanoethyl)-N-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazino]propionamide Formula: C23H25F3N4O MolecularWeight: 430.46601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C23H25F3N4O/c1-18(22(31)30(12-6-11-27)20-8-3-2-4-9-20)28-13-15-29(16-14-28)21-10-5-7-19(17-21)23(24,25)26/h2-5,7-10,17-18H,6,12-16H2,1H3