(E)-3-(1,3-diphenylpyrazol-4-yl)-2-(3-methoxyphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-2-(3-methoxyphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-2-(3-methoxybenzoyl)prop-2-enenitrile CAS Name: (E)-3-(1,3-diphenyl-4-pyrazolyl)-2-[(3-methoxyphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-2-(3-methoxybenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-2-m-anisoyl-acrylonitrile Formula: C26H19N3O2 MolecularWeight: 405.44796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C(=CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)/C(=C/C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C26H19N3O2/c1-31-24-14-8-11-20(16-24)26(30)21(17-27)15-22-18-29(23-12-6-3-7-13-23)28-25(22)19-9-4-2-5-10-19/h2-16,18H,1H3/b21-15+