tert-butyl 7-cyano-5-methyl-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

Systemtic Name: tert-butyl 7-cyano-5-methyl-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Openeye Name: tert-butyl 7-cyano-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate CAS Name: 7-cyano-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-cyano-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Traditional Name: 7-cyano-6-keto-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid tert-butyl ester Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C2CN(C(=O)C3=C(C=CC=C3N2C=N1)C#N)C

Isomeric SMILES

CC(C)(C)OC(=O)C1=C2CN(C(=O)C3=C(C=CC=C3N2C=N1)C#N)C

InChI

InChI=1S/C18H18N4O3/c1-18(2,3)25-17(24)15-13-9-21(4)16(23)14-11(8-19)6-5-7-12(14)22(13)10-20-15/h5-7,10H,9H2,1-4H3