1-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: 1-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: 1-(4-nitrophenyl)-N-(2-pyridylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: 1-(4-nitrophenyl)-N-(2-pyridinylmethyl)-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: 1-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: 1-(4-nitrophenyl)-N-(2-pyridylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C17H12F3N5O3 MolecularWeight: 391.30409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC=NC(=C1)CNC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C17H12F3N5O3/c18-17(19,20)15-14(16(26)22-9-11-3-1-2-8-21-11)10-23-24(15)12-4-6-13(7-5-12)25(27)28/h1-8,10H,9H2,(H,22,26)