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

Systemtic Name: cyanomethyl (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: cyanomethyl (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid cyanomethyl ester IUPAC Name: cyanomethyl (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid cyanomethyl ester Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O4/c1-27-19-10-8-16(14-20(19)28-2)22-17(9-11-21(26)29-13-12-23)15-25(24-22)18-6-4-3-5-7-18/h3-11,14-15H,13H2,1-2H3/b11-9+