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N-(2-(4-Benzylpiperazin-1-yl)-5-bromophenyl)-2-cyanoacetamide
SpectraBase Compound ID CSl6rPpvHRm
InChI InChI=1S/C20H21BrN4O/c21-17-6-7-19(18(14-17)23-20(26)8-9-22)25-12-10-24(11-13-25)15-16-4-2-1-3-5-16/h1-7,14H,8,10-13,15H2,(H,23,26)
InChIKey TXPHRADKXXFVMM-UHFFFAOYSA-N
Mol Weight 413.32 g/mol
Molecular Formula C20H21BrN4O
Exact Mass 412.089874 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I5rSvTfgFhJ
Name N-(2-(4-Benzylpiperazin-1-yl)-5-bromophenyl)-2-cyanoacetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21BrN4O
InChI InChI=1S/C20H21BrN4O/c21-17-6-7-19(18(14-17)23-20(26)8-9-22)25-12-10-24(11-13-25)15-16-4-2-1-3-5-16/h1-7,14H,8,10-13,15H2,(H,23,26)
InChIKey TXPHRADKXXFVMM-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.bmc.2013.01.064
Molecular Weight 413.319 g/mol
SMILES N(c1c(N2CCN(CC2)Cc2ccccc2)ccc(Br)c1)C(CC#N)=O
SPLASH splash10-006y-8921300000-e08bcba9cc364b4d17e7
Source of Spectrum G2-21-2407-5a
Wiley ID 1754114