1-[(4-chlorophenyl)methyl]-4-[4-(phenylmethyl)-1-piperazinyl]triazolo[4,5-b][1,5]benzoxazepine

SpectraBase Compound ID	4vJiINpUOWq
InChI	InChI=1S/C27H25ClN6O/c28-22-12-10-21(11-13-22)19-34-27-25(30-31-34)26(29-23-8-4-5-9-24(23)35-27)33-16-14-32(15-17-33)18-20-6-2-1-3-7-20/h1-13H,14-19H2
InChIKey	JDKSTXMMEKYVCJ-UHFFFAOYSA-N Google Search
Mol Weight	484.99 g/mol
Molecular Formula	C27H25ClN6O
Exact Mass	484.177837 g/mol

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SpectraBase Spectrum ID	Arg5YKM443e
Name	1-[(4-chlorophenyl)methyl]-4-[4-(phenylmethyl)-1-piperazinyl]triazolo[4,5-b][1,5]benzoxazepine
Alternate Name(s)	1-[(4-chlorophenyl)methyl]-4-[4-(phenylmethyl)piperazin-1-yl]-[1,2,3]triazolo[4,5-b][1,5]benzoxazepine 4-(4-benzylpiperazin-1-yl)-1-[(4-chlorophenyl)methyl]triazolo[4,5-b][1,5]benzoxazepine 4-(4-benzylpiperazino)-1-(4-chlorobenzyl)triazolo[4,5-b][1,5]benzoxazepine
CAS Registry Number	106157-56-6
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H25ClN6O
InChI	InChI=1S/C27H25ClN6O/c28-22-12-10-21(11-13-22)19-34-27-25(30-31-34)26(29-23-8-4-5-9-24(23)35-27)33-16-14-32(15-17-33)18-20-6-2-1-3-7-20/h1-13H,14-19H2
InChIKey	JDKSTXMMEKYVCJ-UHFFFAOYSA-N
Molecular Weight	484.991 g/mol
SMILES	c12c([n](Cc3ccc(cc3)Cl)nn1)Oc1ccccc1N=C2N1CCN(CC1)Cc1ccccc1
SPLASH	splash10-004l-9504000000-a93c1e450d0ed1fecf2b
Source of Spectrum	Y-22-1698-0
Wiley ID	1396010