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

Systemtic Name: (E)-2-cyano-N-(2,6-dimethylphenyl)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(2,6-dimethylphenyl)-3-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide Traditional Name: (E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)-2-cyano-N-(2,6-dimethylphenyl)acrylamide Formula: C28H24N4O MolecularWeight: 432.51636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(=CC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)/C(=C/C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4)/C#N

InChI

InChI=1S/C28H24N4O/c1-20-10-9-11-21(2)26(20)30-28(33)24(17-29)16-25-19-32(18-22-12-5-3-6-13-22)31-27(25)23-14-7-4-8-15-23/h3-16,19H,18H2,1-2H3,(H,30,33)/b24-16+