1-[2-nitro-4-(trifluoromethyl)phenyl]-4-(pyridin-2-ylmethyl)piperazine

Systemtic Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-(pyridin-2-ylmethyl)piperazine Openeye Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-(2-pyridylmethyl)piperazine CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-(2-pyridinylmethyl)piperazine IUPAC Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-(pyridin-2-ylmethyl)piperazine Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-(2-pyridylmethyl)piperazine Formula: C17H17F3N4O2 MolecularWeight: 366.33769

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=N2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=N2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H17F3N4O2/c18-17(19,20)13-4-5-15(16(11-13)24(25)26)23-9-7-22(8-10-23)12-14-3-1-2-6-21-14/h1-6,11H,7-10,12H2