N-(2-bromanyl-4-methyl-phenyl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]acetamide Formula: C19H20BrF3N4O MolecularWeight: 457.28751

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CN2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CN2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)Br

InChI

InChI=1S/C19H20BrF3N4O/c1-13-2-4-16(15(20)10-13)25-18(28)12-26-6-8-27(9-7-26)17-5-3-14(11-24-17)19(21,22)23/h2-5,10-11H,6-9,12H2,1H3,(H,25,28)