4-[(E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]benzonitrile CAS Name: 4-[(E)-3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-1-oxoprop-2-enyl]benzonitrile IUPAC Name: 4-[(E)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]benzonitrile Traditional Name: 4-[(E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]acryloyl]benzonitrile Formula: C26H19N3O2 MolecularWeight: 405.44796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)C3=CC=C(C=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)C3=CC=C(C=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C26H19N3O2/c1-31-24-14-11-21(12-15-24)26-22(18-29(28-26)23-5-3-2-4-6-23)13-16-25(30)20-9-7-19(17-27)8-10-20/h2-16,18H,1H3/b16-13+