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2-(2-Hydroxy-3-([2-(1H-indol-3-yl)-1,1-dimethylethyl]amino)propoxy)benzonitrile
SpectraBase Compound ID LDyOg3iF5ws
InChI InChI=1S/C22H25N3O2/c1-22(2,11-17-13-24-20-9-5-4-8-19(17)20)25-14-18(26)15-27-21-10-6-3-7-16(21)12-23/h3-10,13,18,24-26H,11,14-15H2,1-2H3
InChIKey FBMYKMYQHCBIGU-UHFFFAOYSA-N
Mol Weight 363.46 g/mol
Molecular Formula C22H25N3O2
Exact Mass 363.194677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4sQ4plkT4f
Name 2-(2-Hydroxy-3-([2-(1H-indol-3-yl)-1,1-dimethylethyl]amino)propoxy)benzonitrile
CAS Registry Number 71119-11-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25N3O2
InChI InChI=1S/C22H25N3O2/c1-22(2,11-17-13-24-20-9-5-4-8-19(17)20)25-14-18(26)15-27-21-10-6-3-7-16(21)12-23/h3-10,13,18,24-26H,11,14-15H2,1-2H3
InChIKey FBMYKMYQHCBIGU-UHFFFAOYSA-N
Molecular Weight 363.461 g/mol
SMILES [nH]1c2c(c(CC(NCC(COc3c(C#N)cccc3)O)(C)C)c1)cccc2
SPLASH splash10-001i-6390000000-1c76d363fdd95ea08e7f
Source of Spectrum JC-377-187-0
Synonyms 2-[2-hydroxy-3-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]propoxy]benzonitrile 2-[2-hydroxy-3-[[2-(1H-indol-3-yl)-1,1-dimethyl-ethyl]amino]propoxy]benzonitrile Bucindolol 2-[3-[[1-(1H-indol-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile Bucindololum
Wiley ID 1350335