1-(4-Chlorobenzyl)-4-[4-(4-fluorophenyl)piperazino]triazolo[4,5-b][1,5]benzoxazepine

SpectraBase Compound ID	HrFeR63wVo8
InChI	InChI=1S/C26H22ClFN6O/c27-19-7-5-18(6-8-19)17-34-26-24(30-31-34)25(29-22-3-1-2-4-23(22)35-26)33-15-13-32(14-16-33)21-11-9-20(28)10-12-21/h1-12H,13-17H2
InChIKey	ATSFLTUIUGRGCQ-UHFFFAOYSA-N Google Search
Mol Weight	488.95 g/mol
Molecular Formula	C26H22ClFN6O
Exact Mass	488.152765 g/mol

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SpectraBase Spectrum ID	Cf9HU1oGXAK
Name	1-(4-Chlorobenzyl)-4-[4-(4-fluorophenyl)piperazino]triazolo[4,5-b][1,5]benzoxazepine
Alternate Name(s)	1-[(4-chlorophenyl)methyl]-4-[4-(4-fluorophenyl)-1-piperazinyl]triazolo[4,5-b][1,5]benzoxazepine 1-[(4-chlorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,3]triazolo[4,5-b][1,5]benzoxazepine 1-[(4-chlorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]triazolo[4,5-b][1,5]benzoxazepine
CAS Registry Number	106157-58-8
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H22ClFN6O
InChI	InChI=1S/C26H22ClFN6O/c27-19-7-5-18(6-8-19)17-34-26-24(30-31-34)25(29-22-3-1-2-4-23(22)35-26)33-15-13-32(14-16-33)21-11-9-20(28)10-12-21/h1-12H,13-17H2
InChIKey	ATSFLTUIUGRGCQ-UHFFFAOYSA-N
Molecular Weight	488.954 g/mol
SMILES	c12c([n](Cc3ccc(cc3)Cl)nn1)Oc1ccccc1N=C2N1CCN(CC1)c1ccc(cc1)F
SPLASH	splash10-0fbi-0709000000-3dc62794036d012d4b69
Source of Spectrum	Y-22-1698-0
Wiley ID	1396855