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11-{4-[(4-chlorobenzyl)oxy]-3-ethoxyphenyl}-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID 4HJLxVjOxzO
InChI InChI=1S/C34H31ClN2O3/c1-2-39-32-20-24(14-17-31(32)40-21-22-12-15-26(35)16-13-22)34-33-29(36-27-10-6-7-11-28(27)37-34)18-25(19-30(33)38)23-8-4-3-5-9-23/h3-17,20,25,34,36-37H,2,18-19,21H2,1H3
InChIKey IXRIDFAUGCRCBX-UHFFFAOYSA-N
Mol Weight 551.1 g/mol
Molecular Formula C34H31ClN2O3
Exact Mass 550.202321 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3nCHBOh4gjx
Name 11-{4-[(4-chlorobenzyl)oxy]-3-ethoxyphenyl}-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
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Formula C34H31ClN2O3
InChI InChI=1S/C34H31ClN2O3/c1-2-39-32-20-24(14-17-31(32)40-21-22-12-15-26(35)16-13-22)34-33-29(36-27-10-6-7-11-28(27)37-34)18-25(19-30(33)38)23-8-4-3-5-9-23/h3-17,20,25,34,36-37H,2,18-19,21H2,1H3
InChIKey IXRIDFAUGCRCBX-UHFFFAOYSA-N
Molecular Weight 551.086 g/mol
SMILES N1c2ccccc2NC(C2=C1CC(CC2=O)c1ccccc1)c1cc(OCC)c(cc1)OCc1ccc(cc1)Cl
SPLASH splash10-004i-5920000000-e8b9b7c89e6682ec6a9f
Synonyms 6-[4-(4-chlorobenzyl)oxy-3-ethoxy-phenyl]-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one 6-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-phenyl]-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Wiley ID 1465331