1-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: 1-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: 1-(4-nitrophenyl)-N-(3-pyridylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: 1-(4-nitrophenyl)-N-(3-pyridinylmethyl)-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: 1-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: 1-(4-nitrophenyl)-N-(3-pyridylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C17H12F3N5O3 MolecularWeight: 391.30409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CN=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)22-9-11-2-1-7-21-8-11)10-23-24(15)12-3-5-13(6-4-12)25(27)28/h1-8,10H,9H2,(H,22,26)