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1-Benzyl-4-[4-(4-fluorophenyl)piperazin-1-yl]triazolo[4,5-b][1,5]benzoxazepine

View entire compound with spectra: 1 MS (GC)

1-Benzyl-4-[4-(4-fluorophenyl)piperazin-1-yl]triazolo[4,5-b][1,5]benzoxazepine
SpectraBase Compound ID Hhiw1YlZaUm
InChI InChI=1S/C26H23FN6O/c27-20-10-12-21(13-11-20)31-14-16-32(17-15-31)25-24-26(34-23-9-5-4-8-22(23)28-25)33(30-29-24)18-19-6-2-1-3-7-19/h1-13H,14-18H2
InChIKey INHBUGMNUKGYBL-UHFFFAOYSA-N
Mol Weight 454.51 g/mol
Molecular Formula C26H23FN6O
Exact Mass 454.191738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ai32VYTROrq
Name 1-Benzyl-4-[4-(4-fluorophenyl)piperazin-1-yl]triazolo[4,5-b][1,5]benzoxazepine
Alternate Name(s) 1-Benzyl-4-[4-(4-fluorophenyl)piperazino]triazolo[4,5-b][1,5]benzoxazepine 4-[4-(4-fluorophenyl)-1-piperazinyl]-1-(phenylmethyl)triazolo[4,5-b][1,5]benzoxazepine 4-[4-(4-fluorophenyl)piperazin-1-yl]-1-(phenylmethyl)-[1,2,3]triazolo[4,5-b][1,5]benzoxazepine
CAS Registry Number 106157-53-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H23FN6O
InChI InChI=1S/C26H23FN6O/c27-20-10-12-21(13-11-20)31-14-16-32(17-15-31)25-24-26(34-23-9-5-4-8-22(23)28-25)33(30-29-24)18-19-6-2-1-3-7-19/h1-13H,14-18H2
InChIKey INHBUGMNUKGYBL-UHFFFAOYSA-N
Molecular Weight 454.509 g/mol
SMILES c12c([n](Cc3ccccc3)nn1)Oc1ccccc1N=C2N1CCN(CC1)c1ccc(cc1)F
SPLASH splash10-0udl-4209100000-a66e6f9abc75744ae7f4
Source of Spectrum Y-22-1698-0
Wiley ID 1388788