(2-methylphenyl)-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone

Systemtic Name: (2-methylphenyl)-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone Openeye Name: o-tolyl-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]methanone CAS Name: (2-methylphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methanone IUPAC Name: (2-methylphenyl)-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone Traditional Name: o-tolyl-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]methanone Formula: C18H18F3N3O MolecularWeight: 349.35023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H18F3N3O/c1-13-4-2-3-5-15(13)17(25)24-10-8-23(9-11-24)16-7-6-14(12-22-16)18(19,20)21/h2-7,12H,8-11H2,1H3