ethyl 2-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-oxo-butanoate CAS Name: 2-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxobutanoate Traditional Name: 2-acetyl-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]acrylic acid ethyl ester Formula: C22H19FN2O3 MolecularWeight: 378.396263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CCOC(=O)C(=CC1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C22H19FN2O3/c1-3-28-22(27)20(15(2)26)13-17-14-25(19-7-5-4-6-8-19)24-21(17)16-9-11-18(23)12-10-16/h4-14H,3H2,1-2H3