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1-cyclopropyl-6-fluoranyl-7-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-(3-methylbutanoylamino)propan-2-yl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid
SpectraBase Compound ID 5bQcwDQPEXo
InChI InChI=1S/C25H27F7N4O4/c1-13(2)9-20(37)33-23(24(27,28)29,25(30,31)32)35-7-5-34(6-8-35)19-11-18-15(10-17(19)26)21(38)16(22(39)40)12-36(18)14-3-4-14/h10-14H,3-9H2,1-2H3,(H,33,37)(H,39,40)
InChIKey YHSVETRWDRQBDG-UHFFFAOYSA-N
Mol Weight 580.5 g/mol
Molecular Formula C25H27F7N4O4
Exact Mass 580.192053 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 95fxJR48mCj
Name 1-cyclopropyl-6-fluoranyl-7-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-(3-methylbutanoylamino)propan-2-yl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid
CAS Registry Number 196401-21-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27F7N4O4
InChI InChI=1S/C25H27F7N4O4/c1-13(2)9-20(37)33-23(24(27,28)29,25(30,31)32)35-7-5-34(6-8-35)19-11-18-15(10-17(19)26)21(38)16(22(39)40)12-36(18)14-3-4-14/h10-14H,3-9H2,1-2H3,(H,33,37)(H,39,40)
InChIKey YHSVETRWDRQBDG-UHFFFAOYSA-N
Molecular Weight 580.504 g/mol
SMILES N(C(N1CCN(c2c(cc3c(N(C=C(C(=O)O)C3=O)C3CC3)c2)F)CC1)(C(F)(F)F)C(F)(F)F)C(=O)CC(C)C
SPLASH splash10-052o-9220000000-2550dc8bd3ec6588b598
Synonyms 1-cyclopropyl-6-fluoro-4-keto-7-[4-[2,2,2-trifluoro-1-(isovalerylamino)-1-(trifluoromethyl)ethyl]piperazino]quinoline-3-carboxylic acid 1-Cyclopropyl-6-fluoro-4-oxo-7-(4-[2,2,2-trifluoro-1-[(3-methylbutanoyl)amino]-1-(trifluoromethyl)ethyl]-1-piperazinyl)-1,4-dihydro-3-quinolinecarboxylic acid 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[2,2,2-trifluoro-1-(3-methylbutanoylamino)-1-(trifluoromethyl)ethyl]piperazin-1-yl]quinoline-3-carboxylic acid 1-cyclopropyl-6-fluoro-7-[4-[1,1,1,3,3,3-hexafluoro-2-(3-methylbutanoylamino)propan-2-yl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid 1-cyclopropyl-6-fluoro-7-[4-[1,1,1,3,3,3-hexafluoro-2-[(3-methyl-1-oxobutyl)amino]propan-2-yl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid
Wiley ID 1468630