N-[3-acetamido-5-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonyl-phenyl]ethanamide

Systemtic Name: N-[3-acetamido-5-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonyl-phenyl]ethanamide Openeye Name: N-[3-acetamido-5-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]phenyl]acetamide CAS Name: N-[3-acetamido-5-[oxo-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methyl]phenyl]acetamide IUPAC Name: N-[3-acetamido-5-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl]phenyl]acetamide Traditional Name: N-[3-acetamido-5-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]phenyl]acetamide Formula: C21H22F3N5O3 MolecularWeight: 449.42629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)NC(=O)C

InChI

InChI=1S/C21H22F3N5O3/c1-13(30)26-17-9-15(10-18(11-17)27-14(2)31)20(32)29-7-5-28(6-8-29)19-4-3-16(12-25-19)21(22,23)24/h3-4,9-12H,5-8H2,1-2H3,(H,26,30)(H,27,31)