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3-(2-Chlorophenyl)-11-(2-isopropoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID ArMDn7i7cxl
InChI InChI=1S/C28H27ClN2O2/c1-17(2)33-26-14-8-4-10-20(26)28-27-24(30-22-12-6-7-13-23(22)31-28)15-18(16-25(27)32)19-9-3-5-11-21(19)29/h3-14,17-18,28,30-31H,15-16H2,1-2H3
InChIKey SHUGUJZESGPCLW-UHFFFAOYSA-N
Mol Weight 458.99 g/mol
Molecular Formula C28H27ClN2O2
Exact Mass 458.176106 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E4dAd4OnP4g
Name 3-(2-Chlorophenyl)-11-(2-isopropoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H27ClN2O2
InChI InChI=1S/C28H27ClN2O2/c1-17(2)33-26-14-8-4-10-20(26)28-27-24(30-22-12-6-7-13-23(22)31-28)15-18(16-25(27)32)19-9-3-5-11-21(19)29/h3-14,17-18,28,30-31H,15-16H2,1-2H3
InChIKey SHUGUJZESGPCLW-UHFFFAOYSA-N
Molecular Weight 458.989 g/mol
SMILES N1c2ccccc2NC(C2=C1CC(CC2=O)c1c(Cl)cccc1)c1c(OC(C)C)cccc1
SPLASH splash10-00di-4978300000-f17b081f20409addfa7f
Synonyms 9-(2-Chlorophenyl)-6-(2-isopropoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one 9-(2-Chlorophenyl)-6-(2-propan-2-yloxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Wiley ID 1461727