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

Systemtic Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(4-fluorophenyl)prop-2-enenitrile Openeye Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(4-fluorophenyl)prop-2-enenitrile CAS Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-(4-fluorophenyl)-2-propenenitrile IUPAC Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-2-(4-fluorophenyl)prop-2-enenitrile Traditional Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(4-fluorophenyl)acrylonitrile Formula: C26H20FN3O2 MolecularWeight: 425.454303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C3=CC=C(C=C3)F)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C3=CC=C(C=C3)F)C4=CC=CC=C4)OC

InChI

InChI=1S/C26H20FN3O2/c1-31-24-13-10-19(15-25(24)32-2)26-21(17-30(29-26)23-6-4-3-5-7-23)14-20(16-28)18-8-11-22(27)12-9-18/h3-15,17H,1-2H3/b20-14-