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

Systemtic Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-2-benzoyl-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-benzoyl-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-2-benzoyl-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: (E)-2-benzoyl-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylonitrile Formula: C27H21N3O3 MolecularWeight: 435.47394

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21N3O3/c1-32-24-14-13-20(16-25(24)33-2)26-22(18-30(29-26)23-11-7-4-8-12-23)15-21(17-28)27(31)19-9-5-3-6-10-19/h3-16,18H,1-2H3/b21-15+