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1-Benzyl-5-chloro-3-[2-(3-hydroxyprop-1-ynyl)anilino]-6-phenyl-pyrazin-2-one
SpectraBase Compound ID 92eLSU05Qbu
InChI InChI=1S/C26H20ClN3O2/c27-24-23(21-13-5-2-6-14-21)30(18-19-10-3-1-4-11-19)26(32)25(29-24)28-22-16-8-7-12-20(22)15-9-17-31/h1-8,10-14,16,31H,17-18H2,(H,28,29)
InChIKey LZBIVMGLWUSWRX-UHFFFAOYSA-N
Mol Weight 441.92 g/mol
Molecular Formula C26H20ClN3O2
Exact Mass 441.124405 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 96McDMBduto
Name 1-Benzyl-5-chloro-3-[2-(3-hydroxyprop-1-ynyl)anilino]-6-phenyl-pyrazin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H20ClN3O2
InChI InChI=1S/C26H20ClN3O2/c27-24-23(21-13-5-2-6-14-21)30(18-19-10-3-1-4-11-19)26(32)25(29-24)28-22-16-8-7-12-20(22)15-9-17-31/h1-8,10-14,16,31H,17-18H2,(H,28,29)
InChIKey LZBIVMGLWUSWRX-UHFFFAOYSA-N
Molecular Weight 441.918 g/mol
SMILES N(C=1C(N(C(=C(N1)Cl)c1ccccc1)Cc1ccccc1)=O)c1c(C#CCO)cccc1
SPLASH splash10-0006-2000900000-3e4c57a4231037a70d61
Source of Spectrum F-54-13219-3
Synonyms 5-Chloranyl-3-[[2-(3-oxidanylprop-1-ynyl)phenyl]amino]-6-phenyl-1-(phenylmethyl)pyrazin-2-one 5-Chloro-3-[2-(3-hydroxyprop-1-ynyl)anilino]-6-phenyl-1-(phenylmethyl)-2-pyrazinone
Wiley ID 809401