N-[4-[(E)-[1-(2-cyanoethyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]phenyl]benzamide

Systemtic Name: N-[4-[(E)-[1-(2-cyanoethyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]phenyl]benzamide Openeye Name: N-[4-[(E)-[1-(2-cyanoethyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]phenyl]benzamide CAS Name: N-[4-[(E)-[1-(2-cyanoethyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]phenyl]benzamide IUPAC Name: N-[4-[(E)-[1-(2-cyanoethyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]phenyl]benzamide Traditional Name: N-[4-[(E)-[1-(2-cyanoethyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]phenyl]benzamide Formula: C21H18N4O2 MolecularWeight: 358.39322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)CCC#N

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)CCC#N

InChI

InChI=1S/C21H18N4O2/c1-15-19(21(27)25(24-15)13-5-12-22)14-16-8-10-18(11-9-16)23-20(26)17-6-3-2-4-7-17/h2-4,6-11,14H,5,13H2,1H3,(H,23,26)/b19-14+