1-(2-cyanoethyl)-N-(4-methyl-2-nitro-phenyl)-3-phenyl-pyrazole-4-carboxamide

Systemtic Name: 1-(2-cyanoethyl)-N-(4-methyl-2-nitro-phenyl)-3-phenyl-pyrazole-4-carboxamide Openeye Name: 1-(2-cyanoethyl)-N-(4-methyl-2-nitro-phenyl)-3-phenyl-pyrazole-4-carboxamide CAS Name: 1-(2-cyanoethyl)-N-(4-methyl-2-nitrophenyl)-3-phenyl-4-pyrazolecarboxamide IUPAC Name: 1-(2-cyanoethyl)-N-(4-methyl-2-nitrophenyl)-3-phenylpyrazole-4-carboxamide Traditional Name: 1-(2-cyanoethyl)-N-(4-methyl-2-nitro-phenyl)-3-phenyl-pyrazole-4-carboxamide Formula: C20H17N5O3 MolecularWeight: 375.38068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CN(N=C2C3=CC=CC=C3)CCC#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CN(N=C2C3=CC=CC=C3)CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O3/c1-14-8-9-17(18(12-14)25(27)28)22-20(26)16-13-24(11-5-10-21)23-19(16)15-6-3-2-4-7-15/h2-4,6-9,12-13H,5,11H2,1H3,(H,22,26)