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3-(4-Methylphenyl)-11-[2-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID IIx7XdnwiwE
InChI InChI=1S/C27H23F3N2O/c1-16-10-12-17(13-11-16)18-14-23-25(24(33)15-18)26(32-22-9-5-4-8-21(22)31-23)19-6-2-3-7-20(19)27(28,29)30/h2-13,18,26,31-32H,14-15H2,1H3
InChIKey SWLSQKIALIIEJM-UHFFFAOYSA-N
Mol Weight 448.49 g/mol
Molecular Formula C27H23F3N2O
Exact Mass 448.176248 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZrw9paEpyq
Name 3-(4-Methylphenyl)-11-[2-(trifluoromethyl)phenyl]-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 C27H23F3N2O
InChI InChI=1S/C27H23F3N2O/c1-16-10-12-17(13-11-16)18-14-23-25(24(33)15-18)26(32-22-9-5-4-8-21(22)31-23)19-6-2-3-7-20(19)27(28,29)30/h2-13,18,26,31-32H,14-15H2,1H3
InChIKey SWLSQKIALIIEJM-UHFFFAOYSA-N
Molecular Weight 448.489 g/mol
SMILES N1c2ccccc2NC(C2=C1CC(CC2=O)c1ccc(cc1)C)c1c(C(F)(F)F)cccc1
SPLASH splash10-0udi-3944100000-880f661fd830b6926fb6
Synonyms 9-(4-Methylphenyl)-6-[2-(trifluoromethyl)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one 9-(p-tolyl)-6-[2-(trifluoromethyl)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Wiley ID 1442279