methyl 6-oxidanylidene-5-(phenylmethyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxylate

Systemtic Name: methyl 6-oxidanylidene-5-(phenylmethyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxylate Openeye Name: methyl 5-benzyl-6-oxo-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxylate CAS Name: 6-oxo-5-(phenylmethyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-6-oxo-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxylate Traditional Name: 5-benzyl-6-keto-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid methyl ester Formula: C19H16N4O3 MolecularWeight: 348.35534

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN2C(=N1)CN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=NN2C(=N1)CN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C19H16N4O3/c1-26-19(25)17-20-16-12-22(11-13-7-3-2-4-8-13)18(24)14-9-5-6-10-15(14)23(16)21-17/h2-10H,11-12H2,1H3