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piperazine, 1-(3-bromobenzoyl)-4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-
SpectraBase Compound ID 2pcN37zlxg2
InChI InChI=1S/C22H22BrN5O3/c1-15-12-16(2)27(24-15)21-14-19(6-7-20(21)28(30)31)25-8-10-26(11-9-25)22(29)17-4-3-5-18(23)13-17/h3-7,12-14H,8-11H2,1-2H3
InChIKey XKJUEJLUOUOXBT-UHFFFAOYSA-N
Mol Weight 484.35 g/mol
Molecular Formula C22H22BrN5O3
Exact Mass 483.090603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LkRZAeKqdVk
Name (3-bromophenyl)-[4-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]-1-piperazinyl]methanone
Alternate Name(s) (3-bromophenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazino]methanone 1-(3-Bromobenzoyl)-4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazine (3-bromophenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22BrN5O3
InChI InChI=1S/C22H22BrN5O3/c1-15-12-16(2)27(24-15)21-14-19(6-7-20(21)28(30)31)25-8-10-26(11-9-25)22(29)17-4-3-5-18(23)13-17/h3-7,12-14H,8-11H2,1-2H3
InChIKey XKJUEJLUOUOXBT-UHFFFAOYSA-N
Molecular Weight 484.354 g/mol
SMILES c1ccc(C(N2CCN(c3cc(-[n]4nc(C)cc4C)c(N(=O)=O)cc3)CC2)=O)cc1Br
SPLASH splash10-0a4i-9760000000-c60191ee8b4690922741
Wiley ID 1463998