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8-[(2-bromo-1-oxoethyl)amino]-6-(4-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester
SpectraBase Compound ID 563Xq3FnZTw
InChI InChI=1S/C22H18BrClN4O3/c1-2-31-22(30)21-18-11-25-20(13-3-5-14(24)6-4-13)16-9-15(27-19(29)10-23)7-8-17(16)28(18)12-26-21/h3-9,12H,2,10-11H2,1H3,(H,27,29)
InChIKey JNFMAFYHQYFOIO-UHFFFAOYSA-N
Mol Weight 501.77 g/mol
Molecular Formula C22H18BrClN4O3
Exact Mass 500.025081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J0jqRDRbc7S
Name 8-[(2-bromo-1-oxoethyl)amino]-6-(4-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester
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Formula C22H18BrClN4O3
InChI InChI=1S/C22H18BrClN4O3/c1-2-31-22(30)21-18-11-25-20(13-3-5-14(24)6-4-13)16-9-15(27-19(29)10-23)7-8-17(16)28(18)12-26-21/h3-9,12H,2,10-11H2,1H3,(H,27,29)
InChIKey JNFMAFYHQYFOIO-UHFFFAOYSA-N
Molecular Weight 501.768 g/mol
SMILES N(C(=O)CBr)c1ccc-2c(C(c3ccc(cc3)Cl)=NCc3c(C(=O)OCC)nc[n]23)c1
SPLASH splash10-0a4r-2914000000-f63d3744d1547d01ceda
Source of Spectrum Y-28-1668-17
Synonyms 8-[(2-bromoacetyl)amino]-6-(4-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester Ethyl 8-(2-bromanylethanoylamino)-6-(4-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Ethyl 8-[(2-bromoacetyl)amino]-6-(4-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
Wiley ID 1398804