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1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-8-(trifluoromethyl)quinoline-3-carboxylic acid
SpectraBase Compound ID JSKfo7z6MD8
InChI InChI=1S/C18H17F4N3O3/c19-12-7-10-14(25(9-1-2-9)8-11(16(10)26)17(27)28)13(18(20,21)22)15(12)24-5-3-23-4-6-24/h7-9,23H,1-6H2,(H,27,28)
InChIKey XJVFMQZLUIUEKO-UHFFFAOYSA-N
Mol Weight 399.35 g/mol
Molecular Formula C18H17F4N3O3
Exact Mass 399.120604 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fio0ZYGuBIF
Name 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-8-(trifluoromethyl)quinoline-3-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17F4N3O3
InChI InChI=1S/C18H17F4N3O3/c19-12-7-10-14(25(9-1-2-9)8-11(16(10)26)17(27)28)13(18(20,21)22)15(12)24-5-3-23-4-6-24/h7-9,23H,1-6H2,(H,27,28)
InChIKey XJVFMQZLUIUEKO-UHFFFAOYSA-N
Molecular Weight 399.346 g/mol
SMILES N1CCN(c2c(cc3c(N(C=C(C(=O)O)C3=O)C3CC3)c2C(F)(F)F)F)CC1
SPLASH splash10-0bt9-0009000000-05169ffb9ea9411e445c
Source of Spectrum F2-35-366-18
Synonyms 1-cyclopropyl-6-fluoro-4-keto-7-piperazino-8-(trifluoromethyl)quinoline-3-carboxylic acid 1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-8-(trifluoromethyl)-3-quinolinecarboxylic acid 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-8-(trifluoromethyl)quinoline-3-carboxylic acid
Wiley ID 1574240