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7-[4-(1-Butyramido-1-ethoxycarbonyl-2,2,2-trifluoroethyl)-1-piperazinyl]-1-cyclopropyl-6-fluoro-4(1H)-oxoquinoline-3-carboxylic acid

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7-[4-(1-Butyramido-1-ethoxycarbonyl-2,2,2-trifluoroethyl)-1-piperazinyl]-1-cyclopropyl-6-fluoro-4(1H)-oxoquinoline-3-carboxylic acid
SpectraBase Compound ID 1SDUw3JGaP8
InChI InChI=1S/C26H30F4N4O6/c1-3-5-21(35)31-25(26(28,29)30,24(39)40-4-2)33-10-8-32(9-11-33)20-13-19-16(12-18(20)27)22(36)17(23(37)38)14-34(19)15-6-7-15/h12-15H,3-11H2,1-2H3,(H,31,35)(H,37,38)
InChIKey KWCZPIZIAWHUOB-UHFFFAOYSA-N
Mol Weight 570.54 g/mol
Molecular Formula C26H30F4N4O6
Exact Mass 570.210147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HS5G1VodjuV
Name 7-[4-(1-Butyramido-1-ethoxycarbonyl-2,2,2-trifluoroethyl)-1-piperazinyl]-1-cyclopropyl-6-fluoro-4(1H)-oxoquinoline-3-carboxylic acid
Alternate Name(s) 1-cyclopropyl-7-[4-[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(1-oxobutylamino)propan-2-yl]-1-piperazinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid 7-(4-[1-(Butyrylamino)-1-(ethoxycarbonyl)-2,2,2-trifluoroethyl]-1-piperazinyl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid 7-[4-(1-butyramido-1-carbethoxy-2,2,2-trifluoro-ethyl)piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid 7-[4-[1-(butanoylamino)-1-ethoxycarbonyl-2,2,2-trifluoro-ethyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid 7-[4-[2-(butanoylamino)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid 7-[4-[2-(butanoylamino)-3-ethoxy-1,1,1-tris(fluoranyl)-3-oxidanylidene-propan-2-yl]piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid
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Formula C26H30F4N4O6
InChI InChI=1S/C26H30F4N4O6/c1-3-5-21(35)31-25(26(28,29)30,24(39)40-4-2)33-10-8-32(9-11-33)20-13-19-16(12-18(20)27)22(36)17(23(37)38)14-34(19)15-6-7-15/h12-15H,3-11H2,1-2H3,(H,31,35)(H,37,38)
InChIKey KWCZPIZIAWHUOB-UHFFFAOYSA-N
Molecular Weight 570.542 g/mol
SMILES OC(C1=CN(c2c(cc(c(N3CCN(C(C(=O)OCC)(C(F)(F)F)NC(=O)CCC)CC3)c2)F)C1=O)C1CC1)=O
SPLASH splash10-006x-9010000000-a9adf8fe0e7ea9b3e44c
Wiley ID 1468642