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

Systemtic Name: (E)-2-cyano-N-(2-methoxyphenyl)-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-2-cyano-N-(2-methoxyphenyl)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-(2-methoxyphenyl)-3-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(2-methoxyphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: (E)-2-cyano-N-(2-methoxyphenyl)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]acrylamide Formula: C27H22N4O2 MolecularWeight: 434.48918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC3=CC=CC=C3OC)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NC3=CC=CC=C3OC)C4=CC=CC=C4

InChI

InChI=1S/C27H22N4O2/c1-19-12-14-20(15-13-19)26-22(18-31(30-26)23-8-4-3-5-9-23)16-21(17-28)27(32)29-24-10-6-7-11-25(24)33-2/h3-16,18H,1-2H3,(H,29,32)/b21-16+