2-[4-[(E)-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(E)-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]prop-2-enoyl]phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-1-oxoprop-2-enyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]acryloyl]phenoxy]acetonitrile Formula: C27H21N3O2 MolecularWeight: 419.47454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)C3=CC=C(C=C3)OCC#N)C4=CC=CC=C4

Isomeric SMILES

CC1=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/C27H21N3O2/c1-20-7-9-22(10-8-20)27-23(19-30(29-27)24-5-3-2-4-6-24)13-16-26(31)21-11-14-25(15-12-21)32-18-17-28/h2-16,19H,18H2,1H3/b16-13+