N-(2-cyanoethyl)-N-phenyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanamide

Systemtic Name: N-(2-cyanoethyl)-N-phenyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanamide Openeye Name: N-(2-cyanoethyl)-N-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]propanamide CAS Name: N-(2-cyanoethyl)-N-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]propanamide IUPAC Name: N-(2-cyanoethyl)-N-phenyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanamide Traditional Name: N-(2-cyanoethyl)-N-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]propionamide Formula: C22H24F3N5O MolecularWeight: 431.45407

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=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C22H24F3N5O/c1-17(21(31)30(11-5-10-26)19-6-3-2-4-7-19)28-12-14-29(15-13-28)20-9-8-18(16-27-20)22(23,24)25/h2-4,6-9,16-17H,5,11-15H2,1H3