N-(2-methylpropyl)-1-(4-nitrophenyl)-5-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-(2-methylpropyl)-1-(4-nitrophenyl)-5-phenyl-pyrazole-4-carboxamide Openeye Name: N-isobutyl-1-(4-nitrophenyl)-5-phenyl-pyrazole-4-carboxamide CAS Name: N-(2-methylpropyl)-1-(4-nitrophenyl)-5-phenyl-4-pyrazolecarboxamide IUPAC Name: N-(2-methylpropyl)-1-(4-nitrophenyl)-5-phenylpyrazole-4-carboxamide Traditional Name: N-isobutyl-1-(4-nitrophenyl)-5-phenyl-pyrazole-4-carboxamide Formula: C20H20N4O3 MolecularWeight: 364.3978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3/c1-14(2)12-21-20(25)18-13-22-23(19(18)15-6-4-3-5-7-15)16-8-10-17(11-9-16)24(26)27/h3-11,13-14H,12H2,1-2H3,(H,21,25)