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

Systemtic Name: (E)-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-2-benzoyl-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-benzoyl-3-[3-(2-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-2-benzoyl-3-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: (E)-2-benzoyl-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylonitrile Formula: C26H19N3O2 MolecularWeight: 405.44796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C=C2C=C(C#N)C(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C=C2/C=C(\C#N)/C(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H19N3O2/c1-31-24-15-9-8-14-23(24)25-21(18-29(28-25)22-12-6-3-7-13-22)16-20(17-27)26(30)19-10-4-2-5-11-19/h2-16,18H,1H3/b20-16+