(2-methylphenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: (2-methylphenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(o-tolyl)methanone CAS Name: (2-methylphenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (2-methylphenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]-(o-tolyl)methanone Formula: C19H18F3N3O3 MolecularWeight: 393.35973

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H18F3N3O3/c1-13-4-2-3-5-15(13)18(26)24-10-8-23(9-11-24)16-7-6-14(19(20,21)22)12-17(16)25(27)28/h2-7,12H,8-11H2,1H3