ethyl 4-[[2-(3-fluorophenyl)-5-phenyl-pyrazol-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[2-(3-fluorophenyl)-5-phenyl-pyrazol-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[2-(3-fluorophenyl)-5-phenyl-pyrazol-3-yl]amino]-4-oxo-butanoate CAS Name: 4-[[2-(3-fluorophenyl)-5-phenyl-3-pyrazolyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-fluorophenyl)-5-phenylpyrazol-3-yl]amino]-4-oxobutanoate Traditional Name: 4-[[2-(3-fluorophenyl)-5-phenyl-pyrazol-3-yl]amino]-4-keto-butyric acid ethyl ester Formula: C21H20FN3O3 MolecularWeight: 381.400203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1=CC(=NN1C2=CC(=CC=C2)F)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=CC(=NN1C2=CC(=CC=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C21H20FN3O3/c1-2-28-21(27)12-11-20(26)23-19-14-18(15-7-4-3-5-8-15)24-25(19)17-10-6-9-16(22)13-17/h3-10,13-14H,2,11-12H2,1H3,(H,23,26)