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

Systemtic Name: (E)-2-cyano-3-[3-(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazol-4-yl]-N-methyl-prop-2-enamide Openeye Name: (E)-3-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]-2-cyano-N-methyl-prop-2-enamide CAS Name: (E)-2-cyano-3-[3-(3,4-dimethylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-N-methyl-2-propenamide IUPAC Name: (E)-3-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]-2-cyano-N-methylprop-2-enamide Traditional Name: (E)-3-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]-2-cyano-N-methyl-acrylamide Formula: C23H22N4O MolecularWeight: 370.44698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC)CC3=CC=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O/c1-16-9-10-19(11-17(16)2)22-21(12-20(13-24)23(28)25-3)15-27(26-22)14-18-7-5-4-6-8-18/h4-12,15H,14H2,1-3H3,(H,25,28)/b20-12+