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11-(3-Bromo-4-hydroxy-5-methoxyphenyl)-3-(2-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID E8Q0rEWs1Tv
InChI InChI=1S/C26H22BrClN2O3/c1-33-23-13-15(10-17(27)26(23)32)25-24-21(29-19-8-4-5-9-20(19)30-25)11-14(12-22(24)31)16-6-2-3-7-18(16)28/h2-10,13-14,25,29-30,32H,11-12H2,1H3
InChIKey KXVLSZFRRBZWIB-UHFFFAOYSA-N
Mol Weight 525.83 g/mol
Molecular Formula C26H22BrClN2O3
Exact Mass 524.050233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4gJWYogTZ2
Name 11-(3-Bromo-4-hydroxy-5-methoxyphenyl)-3-(2-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
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Formula C26H22BrClN2O3
InChI InChI=1S/C26H22BrClN2O3/c1-33-23-13-15(10-17(27)26(23)32)25-24-21(29-19-8-4-5-9-20(19)30-25)11-14(12-22(24)31)16-6-2-3-7-18(16)28/h2-10,13-14,25,29-30,32H,11-12H2,1H3
InChIKey KXVLSZFRRBZWIB-UHFFFAOYSA-N
Molecular Weight 525.830 g/mol
SMILES N1c2ccccc2NC(c2cc(c(c(c2)Br)O)OC)C2=C1CC(CC2=O)c1c(Cl)cccc1
SPLASH splash10-0udi-9731000000-5364a0f03b3d5ac258f3
Synonyms 6-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-9-(2-chlorophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one 6-(3-bromo-4-hydroxy-5-methoxy-phenyl)-9-(2-chlorophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Wiley ID 1453810