[2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(4-acetamido-2-fluoro-phenyl)-2-oxo-ethyl] 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(3-methoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-(4-acetamido-2-fluoro-phenyl)-2-keto-ethyl] ester Formula: C27H22FN3O5 MolecularWeight: 487.479083

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)C2=CN(N=C2C3=CC(=CC=C3)OC)C4=CC=CC=C4)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)C2=CN(N=C2C3=CC(=CC=C3)OC)C4=CC=CC=C4)F

InChI

InChI=1S/C27H22FN3O5/c1-17(32)29-19-11-12-22(24(28)14-19)25(33)16-36-27(34)23-15-31(20-8-4-3-5-9-20)30-26(23)18-7-6-10-21(13-18)35-2/h3-15H,16H2,1-2H3,(H,29,32)