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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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