tert-butyl 5-methyl-6-oxidanylidene-8-piperidin-1-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

Systemtic Name: tert-butyl 5-methyl-6-oxidanylidene-8-piperidin-1-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Openeye Name: tert-butyl 5-methyl-6-oxo-8-(1-piperidyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate CAS Name: 5-methyl-6-oxo-8-(1-piperidinyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-methyl-6-oxo-8-piperidin-1-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Traditional Name: 6-keto-5-methyl-8-piperidino-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid tert-butyl ester Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)N4CCCCC4)C

Isomeric SMILES

CC(C)(C)OC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)N4CCCCC4)C

InChI

InChI=1S/C22H28N4O3/c1-22(2,3)29-21(28)19-18-13-24(4)20(27)16-12-15(25-10-6-5-7-11-25)8-9-17(16)26(18)14-23-19/h8-9,12,14H,5-7,10-11,13H2,1-4H3