3,3-dimethylbutyl 8-chloranyl-5-methyl-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

Systemtic Name: 3,3-dimethylbutyl 8-chloranyl-5-methyl-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Openeye Name: 3,3-dimethylbutyl 8-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate CAS Name: 8-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid 3,3-dimethylbutyl ester IUPAC Name: 3,3-dimethylbutyl 8-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Traditional Name: 8-chloro-6-keto-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid 3,3-dimethylbutyl ester Formula: C19H22ClN3O3 MolecularWeight: 375.84928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)Cl)C

Isomeric SMILES

CC(C)(C)CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)Cl)C

InChI

InChI=1S/C19H22ClN3O3/c1-19(2,3)7-8-26-18(25)16-15-10-22(4)17(24)13-9-12(20)5-6-14(13)23(15)11-21-16/h5-6,9,11H,7-8,10H2,1-4H3