1-[2-nitro-4-(trifluoromethyl)phenyl]-N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide Openeye Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-N-[3-(1-oxopropylamino)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-N-(3-propionamidophenyl)isonipecotamide Formula: C22H23F3N4O4 MolecularWeight: 464.43763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC(=C1)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=CC=CC(=C1)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H23F3N4O4/c1-2-20(30)26-16-4-3-5-17(13-16)27-21(31)14-8-10-28(11-9-14)18-7-6-15(22(23,24)25)12-19(18)29(32)33/h3-7,12-14H,2,8-11H2,1H3,(H,26,30)(H,27,31)