[2-(3-methoxypropylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(3-methoxypropylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(3-methoxypropylamino)-2-oxo-ethyl] 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(3-methoxypropylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxypropylamino)-2-oxoethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-(3-methoxypropylamino)ethyl] ester Formula: C22H22FN3O4 MolecularWeight: 411.426183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FN3O4/c1-29-13-5-12-24-20(27)15-30-22(28)19-14-26(18-6-3-2-4-7-18)25-21(19)16-8-10-17(23)11-9-16/h2-4,6-11,14H,5,12-13,15H2,1H3,(H,24,27)