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

Systemtic Name: prop-2-enyl (E)-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: allyl (E)-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (E)-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid allyl ester Formula: C24H21N3O4 MolecularWeight: 415.44124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)OCC=C)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)OCC=C)C3=CC=CC=C3)OC

InChI

InChI=1S/C24H21N3O4/c1-4-12-31-24(28)18(15-25)13-19-16-27(20-8-6-5-7-9-20)26-23(19)17-10-11-21(29-2)22(14-17)30-3/h4-11,13-14,16H,1,12H2,2-3H3/b18-13+