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3-(3,4-dimethoxyphenyl)-11-(4-pyridinyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID 6Osn406jE5Y
InChI InChI=1S/C26H25N3O3/c1-31-23-8-7-17(15-24(23)32-2)18-13-21-25(22(30)14-18)26(16-9-11-27-12-10-16)29-20-6-4-3-5-19(20)28-21/h3-12,15,18,26,28-29H,13-14H2,1-2H3
InChIKey YSPATPBMNCXEOI-UHFFFAOYSA-N
Mol Weight 427.5 g/mol
Molecular Formula C26H25N3O3
Exact Mass 427.189592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2MGeeTXplA
Name 3-(3,4-Dimethoxyphenyl)-11-(4-pyridinyl)-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 C26H25N3O3
InChI InChI=1S/C26H25N3O3/c1-31-23-8-7-17(15-24(23)32-2)18-13-21-25(22(30)14-18)26(16-9-11-27-12-10-16)29-20-6-4-3-5-19(20)28-21/h3-12,15,18,26,28-29H,13-14H2,1-2H3
InChIKey YSPATPBMNCXEOI-UHFFFAOYSA-N
Molecular Weight 427.504 g/mol
SMILES N1c2ccccc2NC(C2=C1CC(CC2=O)c1cc(OC)c(cc1)OC)c1ccncc1
SPLASH splash10-0005-6933000000-0626deb056bcc641e771
Synonyms 9-(3,4-dimethoxyphenyl)-6-(4-pyridyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one 9-(3,4-dimethoxyphenyl)-6-pyridin-4-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Wiley ID 1448206