[1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: [2-(isopropylamino)-1-methyl-2-oxo-ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propan-2-ylamino)propan-2-yl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)OC(=O)C1=NN(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)C(C)OC(=O)C1=NN(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3/c1-14(2)22-20(26)15(3)28-21(27)18-23-19(16-10-6-4-7-11-16)25(24-18)17-12-8-5-9-13-17/h4-15H,1-3H3,(H,22,26)