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

Systemtic Name: 2-[4-[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-(1,3-diphenyl-4-pyrazolyl)-1-oxoprop-2-enyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-(1,3-diphenylpyrazol-4-yl)acryloyl]phenoxy]acetonitrile Formula: C26H19N3O2 MolecularWeight: 405.44796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)C3=CC=C(C=C3)OCC#N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)C3=CC=C(C=C3)OCC#N)C4=CC=CC=C4

InChI

InChI=1S/C26H19N3O2/c27-17-18-31-24-14-11-20(12-15-24)25(30)16-13-22-19-29(23-9-5-2-6-10-23)28-26(22)21-7-3-1-4-8-21/h1-16,19H,18H2/b16-13+