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

Systemtic Name: 3-cyanopropyl (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: 3-cyanopropyl (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 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl (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 3-cyanopropyl ester Formula: C24H23N3O4 MolecularWeight: 417.45712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O4/c1-29-21-12-10-18(16-22(21)30-2)24-19(11-13-23(28)31-15-7-6-14-25)17-27(26-24)20-8-4-3-5-9-20/h3-5,8-13,16-17H,6-7,15H2,1-2H3/b13-11+