2-[4-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]phenoxy]acetonitrile CAS Name: 2-[4-[(E)-1-oxo-3-(1-phenyl-4-pyrazolyl)prop-2-enyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-(1-phenylpyrazol-4-yl)acryloyl]phenoxy]acetonitrile Formula: C20H15N3O2 MolecularWeight: 329.352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C=CC(=O)C3=CC=C(C=C3)OCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)/C=C/C(=O)C3=CC=C(C=C3)OCC#N

InChI

InChI=1S/C20H15N3O2/c21-12-13-25-19-9-7-17(8-10-19)20(24)11-6-16-14-22-23(15-16)18-4-2-1-3-5-18/h1-11,14-15H,13H2/b11-6+