5-fluoro PB-22 5-hydroxyisoquinoline isomer

SpectraBase Compound ID	JGvAO4l3Kfx
InChI	InChI=1S/C23H21FN2O2/c24-12-4-1-5-14-26-16-20(19-8-2-3-9-21(19)26)23(27)28-22-10-6-7-17-15-25-13-11-18(17)22/h2-3,6-11,13,15-16H,1,4-5,12,14H2
InChIKey	VDXHSBSNZLWZEP-UHFFFAOYSA-N Google Search
Mol Weight	376.43 g/mol
Molecular Formula	C23H21FN2O2
Exact Mass	376.158706 g/mol

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SpectraBase Spectrum ID	I5it3nXejzn
Name	5-Fluoro-PB-22 5-hydroxyisoquinoline isomer
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C23H21FN2O2
InChI	InChI=1S/C23H21FN2O2/c24-12-4-1-5-14-26-16-20(19-8-2-3-9-21(19)26)23(27)28-22-10-6-7-17-15-25-13-11-18(17)22/h2-3,6-11,13,15-16H,1,4-5,12,14H2
InChIKey	VDXHSBSNZLWZEP-UHFFFAOYSA-N
Molecular Weight	376.431 g/mol
SMILES	c1(c2c(ccc1)cncc2)OC(c1c[n](c2c1cccc2)CCCCCF)=O
SPLASH	splash10-001i-1490000000-0799142ea6aa57242604
Source of Spectrum	SWG-33-4123-0
Synonyms	Isoquinolin-5-yl-1-(5-fluoropentyl)-1H-indole-3-carboxylate 5F-PB-22 5-hydroxyisoquinoline isomer isoquinolin-5-yl 1-(5-fluoropentyl)-1H-indole-3-carboxylate
Wiley ID	1810770