N-(2-ethylphenyl)-2-[4-[6-(trifluoromethyl)pyridin-3-yl]carbonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[6-(trifluoromethyl)pyridin-3-yl]carbonylpiperazin-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[oxo-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1-piperazinyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[6-(trifluoromethyl)nicotinoyl]piperazino]acetamide Formula: C21H23F3N4O2 MolecularWeight: 420.42813

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=O)C3=CN=C(C=C3)C(F)(F)F

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=O)C3=CN=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H23F3N4O2/c1-2-15-5-3-4-6-17(15)26-19(29)14-27-9-11-28(12-10-27)20(30)16-7-8-18(25-13-16)21(22,23)24/h3-8,13H,2,9-12,14H2,1H3,(H,26,29)