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

Systemtic Name: (E)-2-(4-methoxyphenyl)carbonyl-3-(1-phenylpyrazol-4-yl)prop-2-enenitrile Openeye Name: (E)-2-(4-methoxybenzoyl)-3-(1-phenylpyrazol-4-yl)prop-2-enenitrile CAS Name: (E)-2-[(4-methoxyphenyl)-oxomethyl]-3-(1-phenyl-4-pyrazolyl)-2-propenenitrile IUPAC Name: (E)-2-(4-methoxybenzoyl)-3-(1-phenylpyrazol-4-yl)prop-2-enenitrile Traditional Name: (E)-2-p-anisoyl-3-(1-phenylpyrazol-4-yl)acrylonitrile Formula: C20H15N3O2 MolecularWeight: 329.352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(=CC2=CN(N=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O2/c1-25-19-9-7-16(8-10-19)20(24)17(12-21)11-15-13-22-23(14-15)18-5-3-2-4-6-18/h2-11,13-14H,1H3/b17-11+