2-(2-nitrophenyl)-1-[4-[4-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(2-nitrophenyl)-1-[4-[4-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]ethanone Openeye Name: 2-(2-nitrophenyl)-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone CAS Name: 2-(2-nitrophenyl)-1-[4-[oxo-[4-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(2-nitrophenyl)-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone Traditional Name: 2-(2-nitrophenyl)-1-[4-[4-(trifluoromethyl)benzoyl]piperazino]ethanone Formula: C20H18F3N3O4 MolecularWeight: 421.36983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=CC=CC=C2[N+](=O)[O-])C(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)CC2=CC=CC=C2[N+](=O)[O-])C(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H18F3N3O4/c21-20(22,23)16-7-5-14(6-8-16)19(28)25-11-9-24(10-12-25)18(27)13-15-3-1-2-4-17(15)26(29)30/h1-8H,9-13H2