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

Systemtic Name: methyl (E)-2-cyano-3-[3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-[3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[3-(2,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid methyl ester Formula: C22H19N3O2 MolecularWeight: 357.40516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O2/c1-15-9-10-20(16(2)11-15)21-18(12-17(13-23)22(26)27-3)14-25(24-21)19-7-5-4-6-8-19/h4-12,14H,1-3H3/b17-12+