tert-butyl 8-chloranyl-5-methyl-6-oxidanylidene-10-tritio-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

Systemtic Name: tert-butyl 8-chloranyl-5-methyl-6-oxidanylidene-10-tritio-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Openeye Name: tert-butyl 8-chloro-5-methyl-6-oxo-10-tritio-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate CAS Name: 8-chloro-5-methyl-6-oxo-10-tritio-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 8-chloro-5-methyl-6-oxo-10-tritio-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Traditional Name: 8-chloro-6-keto-5-methyl-10-tritio-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid tert-butyl ester Formula: C17H18ClN3O3 MolecularWeight: 349.804229

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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)Cl)C

Isomeric SMILES

[3H]C1=CC(=CC2=C1N3C=NC(=C3CN(C2=O)C)C(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C17H18ClN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3/i6T