[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 1-(4-fluorophenyl)-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 1-(4-fluorophenyl)-3-(4-methylphenyl)-4-pyrazolecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate Traditional Name: 1-(4-fluorophenyl)-3-(p-tolyl)pyrazole-4-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C22H18FN3O3 MolecularWeight: 391.395023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)NCC#C)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)NCC#C)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H18FN3O3/c1-3-12-24-20(27)14-29-22(28)19-13-26(18-10-8-17(23)9-11-18)25-21(19)16-6-4-15(2)5-7-16/h1,4-11,13H,12,14H2,2H3,(H,24,27)