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7-(4-[1-(Benzoylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-1-piperazinyl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
SpectraBase Compound ID F3Jmb78RSed
InChI InChI=1S/C27H23F7N4O4/c28-19-12-17-20(38(16-6-7-16)14-18(22(17)39)24(41)42)13-21(19)36-8-10-37(11-9-36)25(26(29,30)31,27(32,33)34)35-23(40)15-4-2-1-3-5-15/h1-5,12-14,16H,6-11H2,(H,35,40)(H,41,42)
InChIKey VFVHZZMEHYNHJD-UHFFFAOYSA-N
Mol Weight 600.49 g/mol
Molecular Formula C27H23F7N4O4
Exact Mass 600.160752 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KhlBbofc8pU
Name 7-(4-[1-(Benzoylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-1-piperazinyl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
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Formula C27H23F7N4O4
InChI InChI=1S/C27H23F7N4O4/c28-19-12-17-20(38(16-6-7-16)14-18(22(17)39)24(41)42)13-21(19)36-8-10-37(11-9-36)25(26(29,30)31,27(32,33)34)35-23(40)15-4-2-1-3-5-15/h1-5,12-14,16H,6-11H2,(H,35,40)(H,41,42)
InChIKey VFVHZZMEHYNHJD-UHFFFAOYSA-N
Molecular Weight 600.494 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)c1ccccc1
SPLASH splash10-052r-9682000000-64bd79a73722c012734c
Synonyms 7-[4-(2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid 7-[4-(2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid 7-[4-[1-benzamido-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid 7-[4-[1-benzamido-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid 7-[4-[2-benzamido-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid
Wiley ID 1468640