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

Systemtic Name: tert-butyl 5-methyl-6-oxidanylidene-8-pyrrolidin-1-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Openeye Name: tert-butyl 5-methyl-6-oxo-8-pyrrolidin-1-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate CAS Name: 5-methyl-6-oxo-8-(1-pyrrolidinyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-methyl-6-oxo-8-pyrrolidin-1-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Traditional Name: 6-keto-5-methyl-8-pyrrolidino-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid tert-butyl ester Formula: C21H26N4O3 MolecularWeight: 382.45614

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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)N4CCCC4)C

Isomeric SMILES

CC(C)(C)OC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)N4CCCC4)C

InChI

InChI=1S/C21H26N4O3/c1-21(2,3)28-20(27)18-17-12-23(4)19(26)15-11-14(24-9-5-6-10-24)7-8-16(15)25(17)13-22-18/h7-8,11,13H,5-6,9-10,12H2,1-4H3