4-[3-[(3-ethanoylphenyl)amino]-3-oxidanylidene-propyl]-2-(4-fluorophenyl)-5-methyl-pyrazol-3-olate

Systemtic Name: 4-[3-[(3-ethanoylphenyl)amino]-3-oxidanylidene-propyl]-2-(4-fluorophenyl)-5-methyl-pyrazol-3-olate Openeye Name: 4-[3-(3-acetylanilino)-3-oxo-propyl]-2-(4-fluorophenyl)-5-methyl-pyrazol-3-olate CAS Name: 4-[3-(3-acetylanilino)-3-oxopropyl]-2-(4-fluorophenyl)-5-methyl-3-pyrazololate IUPAC Name: 4-[3-(3-acetylanilino)-3-oxopropyl]-2-(4-fluorophenyl)-5-methylpyrazol-3-olate Traditional Name: 4-[3-(3-acetylanilino)-3-keto-propyl]-2-(4-fluorophenyl)-5-methyl-pyrazol-3-olate Formula: C21H19FN3O3- MolecularWeight: 380.392263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CCC(=O)NC2=CC=CC(=C2)C(=O)C)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=C1CCC(=O)NC2=CC=CC(=C2)C(=O)C)[O-])C3=CC=C(C=C3)F

InChI

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