cyclobutylmethyl 7-chloranyl-5-methyl-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

Systemtic Name: cyclobutylmethyl 7-chloranyl-5-methyl-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Openeye Name: cyclobutylmethyl 7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate CAS Name: 7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid cyclobutylmethyl ester IUPAC Name: cyclobutylmethyl 7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Traditional Name: 7-chloro-6-keto-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid cyclobutylmethyl ester Formula: C18H18ClN3O3 MolecularWeight: 359.80682

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(N=CN2C3=C(C1=O)C(=CC=C3)Cl)C(=O)OCC4CCC4

Isomeric SMILES

CN1CC2=C(N=CN2C3=C(C1=O)C(=CC=C3)Cl)C(=O)OCC4CCC4

InChI

InChI=1S/C18H18ClN3O3/c1-21-8-14-16(18(24)25-9-11-4-2-5-11)20-10-22(14)13-7-3-6-12(19)15(13)17(21)23/h3,6-7,10-11H,2,4-5,8-9H2,1H3