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

Systemtic Name: 4-[(E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]benzonitrile CAS Name: 4-[(E)-3-[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]-1-oxoprop-2-enyl]benzonitrile IUPAC Name: 4-[(E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]benzonitrile Traditional Name: 4-[(E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]acryloyl]benzonitrile Formula: C25H16FN3O MolecularWeight: 393.412443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C=CC(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)/C=C/C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H16FN3O/c26-22-13-10-20(11-14-22)25-21(17-29(28-25)23-4-2-1-3-5-23)12-15-24(30)19-8-6-18(16-27)7-9-19/h1-15,17H/b15-12+