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

Systemtic Name: [1-(dimethylamino)-1-oxidanylidene-propan-2-yl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: [2-(dimethylamino)-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-(dimethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(dimethylamino)-1-oxopropan-2-yl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [2-(dimethylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3/c1-14(19(25)23(2)3)27-20(26)17-21-18(15-10-6-4-7-11-15)24(22-17)16-12-8-5-9-13-16/h4-14H,1-3H3