(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 1,5-diphenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: (1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: (1-methyl-2-morpholino-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-(4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: (1-morpholin-4-yl-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-keto-1-methyl-2-morpholino-ethyl) ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)OC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCOCC1)OC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O4/c1-16(21(27)25-12-14-29-15-13-25)30-22(28)19-23-20(17-8-4-2-5-9-17)26(24-19)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3