6-[(1S,2S,5S)-2,5-bis(3-chloranylbenzo[b][1,4]benzoxazepin-6-yl)cyclohexyl]-3-chloranyl-benzo[b][1,4]benzoxazepine

SpectraBase Compound ID	CPhsbrgNR64
InChI	InChI=1S/C45H30Cl3N3O3/c46-26-14-18-40-34(22-26)49-43(30-7-1-4-10-37(30)52-40)25-13-17-29(44-31-8-2-5-11-38(31)53-41-19-15-27(47)23-35(41)50-44)33(21-25)45-32-9-3-6-12-39(32)54-42-20-16-28(48)24-36(42)51-45/h1-12,14-16,18-20,22-25,29,33H,13,17,21H2/t25-,29-,33-/m0/s1
InChIKey	VAZCNIOLHYGSKU-ZAEJILDWSA-N Google Search
Mol Weight	767.1 g/mol
Molecular Formula	C45H30Cl3N3O3
Exact Mass	765.135275 g/mol

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SpectraBase Spectrum ID	DFzPuNjTLM0
Name	6-[(1S,2S,5S)-2,5-bis(3-chloranylbenzo[b][1,4]benzoxazepin-6-yl)cyclohexyl]-3-chloranyl-benzo[b][1,4]benzoxazepine
CAS Registry Number	75137-30-3
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C45H30Cl3N3O3
InChI	InChI=1S/C45H30Cl3N3O3/c46-26-14-18-40-34(22-26)49-43(30-7-1-4-10-37(30)52-40)25-13-17-29(44-31-8-2-5-11-38(31)53-41-19-15-27(47)23-35(41)50-44)33(21-25)45-32-9-3-6-12-39(32)54-42-20-16-28(48)24-36(42)51-45/h1-12,14-16,18-20,22-25,29,33H,13,17,21H2/t25-,29-,33-/m0/s1
InChIKey	VAZCNIOLHYGSKU-ZAEJILDWSA-N
Molecular Weight	767.112 g/mol
SMILES	C1(=Nc2c(ccc(c2)Cl)Oc2c1cccc2)[C@@]1([C@@](C2=Nc3c(ccc(c3)Cl)Oc3c2cccc3)(CC[C@](C2=Nc3c(ccc(c3)Cl)Oc3c2cccc3)(C1)[H])[H])[H]
SPLASH	splash10-0006-0090070300-22302664d55b63cb0d3e
Source of Spectrum	Y-17-658-0
Synonyms	6-[(1S,2S,5S)-2,5-bis(3-chloro-6-benzo[b][1,4]benzoxazepinyl)cyclohexyl]-3-chlorobenzo[b][1,4]benzoxazepine 6-[(1S,2S,5S)-2,5-bis(3-chlorobenzo[b][1,4]benzoxazepin-6-yl)cyclohexyl]-3-chloro-benzo[b][1,4]benzoxazepine
Wiley ID	1416626