[1-oxidanylidene-1-(phenethylamino)propan-2-yl] 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-(phenethylamino)propan-2-yl] 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate Openeye Name: [1-methyl-2-oxo-2-(phenethylamino)ethyl] 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid [1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(phenethylamino)propan-2-yl] 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid [2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C21H21FN4O3 MolecularWeight: 396.414843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)OC(C)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)OC(C)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H21FN4O3/c1-14(20(27)23-13-12-16-6-4-3-5-7-16)29-21(28)19-24-15(2)26(25-19)18-10-8-17(22)9-11-18/h3-11,14H,12-13H2,1-2H3,(H,23,27)