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

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(propylamino)ethyl] 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate CAS Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-4-pyrazolecarboxylic acid [2-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)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-(propylamino)ethyl] ester Formula: C22H22FN3O4 MolecularWeight: 411.426183

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)COC(=O)C1=CN(N=C1C2=CC(=CC=C2)OC)C3=CC=C(C=C3)F

Isomeric SMILES

CCCNC(=O)COC(=O)C1=CN(N=C1C2=CC(=CC=C2)OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H22FN3O4/c1-3-11-24-20(27)14-30-22(28)19-13-26(17-9-7-16(23)8-10-17)25-21(19)15-5-4-6-18(12-15)29-2/h4-10,12-13H,3,11,14H2,1-2H3,(H,24,27)