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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NC)C3=CC=CC=C3)C

InChI

InChI=1S/C22H20N4O/c1-15-9-10-20(16(2)11-15)21-18(12-17(13-23)22(27)24-3)14-26(25-21)19-7-5-4-6-8-19/h4-12,14H,1-3H3,(H,24,27)/b17-12+