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11-(3-Bromo-5-ethoxy-4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID FFpslzwHjMP
InChI InChI=1S/C30H31BrN2O5/c1-5-38-27-16-19(12-20(31)30(27)37-4)29-28-23(32-21-8-6-7-9-22(21)33-29)13-18(14-24(28)34)17-10-11-25(35-2)26(15-17)36-3/h6-12,15-16,18,29,32-33H,5,13-14H2,1-4H3
InChIKey GATNHYRPUOFIGS-UHFFFAOYSA-N
Mol Weight 579.49 g/mol
Molecular Formula C30H31BrN2O5
Exact Mass 578.141635 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 40lGfFZ9y9f
Name 11-(3-Bromo-5-ethoxy-4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
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Formula C30H31BrN2O5
InChI InChI=1S/C30H31BrN2O5/c1-5-38-27-16-19(12-20(31)30(27)37-4)29-28-23(32-21-8-6-7-9-22(21)33-29)13-18(14-24(28)34)17-10-11-25(35-2)26(15-17)36-3/h6-12,15-16,18,29,32-33H,5,13-14H2,1-4H3
InChIKey GATNHYRPUOFIGS-UHFFFAOYSA-N
Molecular Weight 579.491 g/mol
SMILES N1c2ccccc2NC(C2=C1CC(CC2=O)c1cc(OC)c(cc1)OC)c1cc(Br)c(c(c1)OCC)OC
SPLASH splash10-0002-4937000000-29b8cc1f992d325ab6fc
Synonyms 6-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)-9-(3,4-dimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one 6-(3-bromo-5-ethoxy-4-methoxy-phenyl)-9-(3,4-dimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Wiley ID 1455001