[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-naphthalen-1-yl-methanone

Systemtic Name: [4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-naphthalen-1-yl-methanone Openeye Name: [4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(1-naphthyl)methanone CAS Name: [4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-(1-naphthalenyl)methanone IUPAC Name: [4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-naphthalen-1-ylmethanone Traditional Name: [4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazino]-(1-naphthyl)methanone Formula: C22H17F3N4O5 MolecularWeight: 474.38939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H17F3N4O5/c23-22(24,25)15-12-18(28(31)32)20(19(13-15)29(33)34)26-8-10-27(11-9-26)21(30)17-7-3-5-14-4-1-2-6-16(14)17/h1-7,12-13H,8-11H2