[2-oxidanylidene-2-(phenethylamino)ethyl] 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate CAS Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-4-pyrazolecarboxylic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C27H24FN3O4 MolecularWeight: 473.495563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)OCC(=O)NCCC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)OCC(=O)NCCC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H24FN3O4/c1-34-23-9-5-8-20(16-23)26-24(17-31(30-26)22-12-10-21(28)11-13-22)27(33)35-18-25(32)29-15-14-19-6-3-2-4-7-19/h2-13,16-17H,14-15,18H2,1H3,(H,29,32)