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2-[((2-[4-(3-Fluorobenzoyl)-1-piperazinyl]ethyl)amino)methylene]-5,5-dimethyl-1,3-cyclohexanedione
SpectraBase Compound ID 9gyCzDZ4s2l
InChI InChI=1S/C22H28FN3O3/c1-22(2)13-19(27)18(20(28)14-22)15-24-6-7-25-8-10-26(11-9-25)21(29)16-4-3-5-17(23)12-16/h3-5,12,15,24H,6-11,13-14H2,1-2H3
InChIKey GUTIPNAYGCZGFL-UHFFFAOYSA-N
Mol Weight 401.48 g/mol
Molecular Formula C22H28FN3O3
Exact Mass 401.21147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7tde44XvVUm
Name 2-[((2-[4-(3-Fluorobenzoyl)-1-piperazinyl]ethyl)amino)methylene]-5,5-dimethyl-1,3-cyclohexanedione
CAS Registry Number 339310-26-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28FN3O3
InChI InChI=1S/C22H28FN3O3/c1-22(2)13-19(27)18(20(28)14-22)15-24-6-7-25-8-10-26(11-9-25)21(29)16-4-3-5-17(23)12-16/h3-5,12,15,24H,6-11,13-14H2,1-2H3
InChIKey GUTIPNAYGCZGFL-UHFFFAOYSA-N
Molecular Weight 401.482 g/mol
SMILES N(C=C1C(CC(CC1=O)(C)C)=O)CCN1CCN(CC1)C(c1cc(ccc1)F)=O
SPLASH splash10-00di-2490000000-13e1b131c499dc97aa6f
Source of Spectrum AD-0-2532-0
Synonyms 1,3-Cyclohexanedione, 2-[2-[4-(4-fluorobenzoyl)-1-piperazinyl]ethylaminomethylene]- 2-[[2-[4-(3-fluorobenzoyl)piperazin-1-yl]ethylamino]methylene]-5,5-dimethyl-cyclohexane-1,3-dione 2-[[2-[4-(3-fluorobenzoyl)piperazin-1-yl]ethylamino]methylidene]-5,5-dimethylcyclohexane-1,3-dione 2-[[2-[4-(3-fluorobenzoyl)piperazino]ethylamino]methylene]-5,5-dimethyl-cyclohexane-1,3-quinone 2-[[2-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]ethylamino]methylidene]-5,5-dimethyl-cyclohexane-1,3-dione 2-[[2-[4-[(3-fluorophenyl)-oxomethyl]-1-piperazinyl]ethylamino]methylidene]-5,5-dimethylcyclohexane-1,3-dione
Wiley ID 1426645