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

Systemtic Name: N-[4-(cyanomethyl)phenyl]-4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-[4-(cyanomethyl)phenyl]-4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-[4-(cyanomethyl)phenyl]-4-[(5-methyl-3-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-[4-(cyanomethyl)phenyl]-4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzamide Formula: C20H17N5O3 MolecularWeight: 375.38068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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