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1-[o-(Trifluoromethyl)phenyl]-7-(piperazin-1'-yl)-3-(hydroxycarnonyl)-6-fluoro-1,4-dihydro-4-quinolone
SpectraBase Compound ID Gn9G0gw2LCp
InChI InChI=1S/C21H17F4N3O3/c22-15-9-12-17(10-18(15)27-7-5-26-6-8-27)28(11-13(19(12)29)20(30)31)16-4-2-1-3-14(16)21(23,24)25/h1-4,9-11,26H,5-8H2,(H,30,31)
InChIKey RGQHOXOCDXPCDY-UHFFFAOYSA-N
Mol Weight 435.38 g/mol
Molecular Formula C21H17F4N3O3
Exact Mass 435.120604 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Lqk3Mp6od4
Name 1-[o-(Trifluoromethyl)phenyl]-7-(piperazin-1'-yl)-3-(hydroxycarnonyl)-6-fluoro-1,4-dihydro-4-quinolone
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Formula C21H17F4N3O3
InChI InChI=1S/C21H17F4N3O3/c22-15-9-12-17(10-18(15)27-7-5-26-6-8-27)28(11-13(19(12)29)20(30)31)16-4-2-1-3-14(16)21(23,24)25/h1-4,9-11,26H,5-8H2,(H,30,31)
InChIKey RGQHOXOCDXPCDY-UHFFFAOYSA-N
Molecular Weight 435.379 g/mol
SMILES N1CCN(c2c(cc3c(N(C=C(C(=O)O)C3=O)c3c(C(F)(F)F)cccc3)c2)F)CC1
SPLASH splash10-0007-0009200000-d8b00ecc8b896c29ce06
Source of Spectrum D8-329-189-6
Synonyms 6-Fluoro-4-oxo-7-(1-piperazinyl)-1-[2-(trifluoromethyl)phenyl]-3-quinolinecarboxylic acid 6-Fluoro-4-oxo-7-piperazin-1-yl-1-[2-(trifluoromethyl)phenyl]quinoline-3-carboxylic acid 6-Fluoranyl-4-oxidanylidene-7-piperazin-1-yl-1-[2-(trifluoromethyl)phenyl]quinoline-3-carboxylic acid
Wiley ID 1516146