tert-butyl 8-bromanyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

Systemtic Name: tert-butyl 8-bromanyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Openeye Name: tert-butyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate CAS Name: 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Traditional Name: 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid tert-butyl ester Formula: C22H20BrN3O2 MolecularWeight: 438.3171

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C2CN=C(C3=C(N2C=N1)C=CC(=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)C1=C2CN=C(C3=C(N2C=N1)C=CC(=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C22H20BrN3O2/c1-22(2,3)28-21(27)20-18-12-24-19(14-7-5-4-6-8-14)16-11-15(23)9-10-17(16)26(18)13-25-20/h4-11,13H,12H2,1-3H3