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

Systemtic Name: pentan-3-yl 8-chloranyl-5-methyl-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Openeye Name: 1-ethylpropyl 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 pentan-3-yl ester IUPAC Name: pentan-3-yl 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 1-ethylpropyl ester Formula: C18H20ClN3O3 MolecularWeight: 361.8227

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O3/c1-4-12(5-2)25-18(24)16-15-9-21(3)17(23)13-8-11(19)6-7-14(13)22(15)10-20-16/h6-8,10,12H,4-5,9H2,1-3H3