[2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate Openeye Name: [2-(1-methylbutylamino)-2-oxo-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 [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 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-2-(1-methylbutylamino)ethyl] ester Formula: C17H21FN4O3 MolecularWeight: 348.372043

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1=NN(C(=N1)C)C2=CC=C(C=C2)F

Isomeric SMILES

CCCC(C)NC(=O)COC(=O)C1=NN(C(=N1)C)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H21FN4O3/c1-4-5-11(2)19-15(23)10-25-17(24)16-20-12(3)22(21-16)14-8-6-13(18)7-9-14/h6-9,11H,4-5,10H2,1-3H3,(H,19,23)