N-[4-(cyanomethyl)phenyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-[4-(cyanomethyl)phenyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-[4-(cyanomethyl)phenyl]-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-[4-(cyanomethyl)phenyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C21H19N5O3 MolecularWeight: 389.40726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)CC#N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)CC#N)C)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O3/c1-14-20(26(28)29)15(2)25(24-14)13-17-3-7-18(8-4-17)21(27)23-19-9-5-16(6-10-19)11-12-22/h3-10H,11,13H2,1-2H3,(H,23,27)