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6-(4-Benzylpiperazin-1-yl)-4-chloro-2-phenyl-2,5-diazabicyclo[2.2.2]oct-5-en-3-one

View entire compound with spectra: 1 MS (GC)

6-(4-Benzylpiperazin-1-yl)-4-chloro-2-phenyl-2,5-diazabicyclo[2.2.2]oct-5-en-3-one
SpectraBase Compound ID GNesK2VneKp
InChI InChI=1S/C23H25ClN4O/c24-23-12-11-20(28(22(23)29)19-9-5-2-6-10-19)21(25-23)27-15-13-26(14-16-27)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2
InChIKey YLGUKCIGYHMUGU-UHFFFAOYSA-N
Mol Weight 408.93 g/mol
Molecular Formula C23H25ClN4O
Exact Mass 408.171689 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fIcwPaW0pc
Name 6-(4-Benzylpiperazin-1-yl)-4-chloro-2-phenyl-2,5-diazabicyclo[2.2.2]oct-5-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25ClN4O
InChI InChI=1S/C23H25ClN4O/c24-23-12-11-20(28(22(23)29)19-9-5-2-6-10-19)21(25-23)27-15-13-26(14-16-27)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2
InChIKey YLGUKCIGYHMUGU-UHFFFAOYSA-N
Molecular Weight 408.933 g/mol
SMILES C1(=NC2(C(N(C1CC2)c1ccccc1)=O)Cl)N1CCN(CC1)Cc1ccccc1
SPLASH splash10-0a4m-4900100000-07b26c23b9a9489ac0ec
Source of Spectrum F-47-9277-8
Synonyms 6-(4-benzyl-1-piperazinyl)-4-chloro-2-phenyl-2,5-diazabicyclo[2.2.2]oct-5-en-3-one
Wiley ID 1372976