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1-(4-Chlorobenzyl)-4-(4-methylpiperazino)triazolo[4,5-b][1,5]benzoxazepine
SpectraBase Compound ID 6E46txsJjwL
InChI InChI=1S/C21H21ClN6O/c1-26-10-12-27(13-11-26)20-19-21(29-18-5-3-2-4-17(18)23-20)28(25-24-19)14-15-6-8-16(22)9-7-15/h2-9H,10-14H2,1H3
InChIKey VSMCZLJJECWWQR-UHFFFAOYSA-N
Mol Weight 408.89 g/mol
Molecular Formula C21H21ClN6O
Exact Mass 408.146537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9c60CDgy5HX
Name 1-(4-Chlorobenzyl)-4-(4-methylpiperazino)triazolo[4,5-b][1,5]benzoxazepine
Alternate Name(s) 1-[(4-chlorophenyl)methyl]-4-(4-methyl-1-piperazinyl)triazolo[4,5-b][1,5]benzoxazepine 1-[(4-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-[1,2,3]triazolo[4,5-b][1,5]benzoxazepine 1-[(4-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)triazolo[4,5-b][1,5]benzoxazepine
CAS Registry Number 106157-55-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21ClN6O
InChI InChI=1S/C21H21ClN6O/c1-26-10-12-27(13-11-26)20-19-21(29-18-5-3-2-4-17(18)23-20)28(25-24-19)14-15-6-8-16(22)9-7-15/h2-9H,10-14H2,1H3
InChIKey VSMCZLJJECWWQR-UHFFFAOYSA-N
Molecular Weight 408.893 g/mol
SMILES c12c([n](Cc3ccc(cc3)Cl)nn1)Oc1ccccc1N=C2N1CCN(CC1)C
SPLASH splash10-00ai-9301000000-a19d302523042082a200
Source of Spectrum Y-22-1698-0
Wiley ID 1372860