(E)-2-cyano-3-(4-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(4-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]prop-2-enamide Openeye Name: (E)-2-cyano-3-(p-tolyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]prop-2-enamide CAS Name: (E)-2-cyano-3-(4-methylphenyl)-N-[3-(1-pyrazolylmethyl)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(4-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-(p-tolyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acrylamide Formula: C21H18N4O MolecularWeight: 342.39382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)CN3C=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=CC(=C2)CN3C=CC=N3

InChI

InChI=1S/C21H18N4O/c1-16-6-8-17(9-7-16)12-19(14-22)21(26)24-20-5-2-4-18(13-20)15-25-11-3-10-23-25/h2-13H,15H2,1H3,(H,24,26)/b19-12+