(E)-2-cyano-N-(2,6-dimethylphenyl)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(2,6-dimethylphenyl)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-(1-benzylpyrazol-4-yl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(2,6-dimethylphenyl)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-3-(1-benzylpyrazol-4-yl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)-2-cyano-N-(2,6-dimethylphenyl)acrylamide Formula: C22H20N4O MolecularWeight: 356.4204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(=CC2=CN(N=C2)CC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)/C(=C/C2=CN(N=C2)CC3=CC=CC=C3)/C#N

InChI

InChI=1S/C22H20N4O/c1-16-7-6-8-17(2)21(16)25-22(27)20(12-23)11-19-13-24-26(15-19)14-18-9-4-3-5-10-18/h3-11,13,15H,14H2,1-2H3,(H,25,27)/b20-11+