phenacyl (E)-3-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: phenacyl (E)-3-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]prop-2-enoate Openeye Name: phenacyl (E)-3-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[1-(4-fluorophenyl)-3,5-dimethyl-4-pyrazolyl]-2-propenoic acid phenacyl ester IUPAC Name: phenacyl (E)-3-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]acrylic acid phenacyl ester Formula: C22H19FN2O3 MolecularWeight: 378.396263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C=CC(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)/C=C/C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H19FN2O3/c1-15-20(16(2)25(24-15)19-10-8-18(23)9-11-19)12-13-22(27)28-14-21(26)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3/b13-12+