[2-(tert-butylamino)-2-oxidanylidene-ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3/c1-21(2,3)23-17(26)14-28-20(27)18-22-19(15-10-6-4-7-11-15)25(24-18)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3,(H,23,26)