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

Systemtic Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(3-methoxyphenyl)prop-2-enenitrile Openeye Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(3-methoxyphenyl)prop-2-enenitrile CAS Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-(3-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-2-(3-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(3-methoxyphenyl)acrylonitrile Formula: C27H23N3O3 MolecularWeight: 437.48982

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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(=CC=C3)OC)C4=CC=CC=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H23N3O3/c1-31-24-11-7-8-19(15-24)21(17-28)14-22-18-30(23-9-5-4-6-10-23)29-27(22)20-12-13-25(32-2)26(16-20)33-3/h4-16,18H,1-3H3/b21-14-