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2-Amino-1-(2,6-difluorophenyl)-5-keto-7,7-dimethyl-4-[4-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile
SpectraBase Compound ID 4pOkccD6Rsh
InChI InChI=1S/C25H20F5N3O/c1-24(2)10-18-21(19(34)11-24)20(13-6-8-14(9-7-13)25(28,29)30)15(12-31)23(32)33(18)22-16(26)4-3-5-17(22)27/h3-9,20H,10-11,32H2,1-2H3
InChIKey JGBIPDKSCSWHCD-UHFFFAOYSA-N
Mol Weight 473.45 g/mol
Molecular Formula C25H20F5N3O
Exact Mass 473.152653 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7d0AP1RS42J
Name 2-Amino-1-(2,6-difluorophenyl)-5-keto-7,7-dimethyl-4-[4-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20F5N3O
InChI InChI=1S/C25H20F5N3O/c1-24(2)10-18-21(19(34)11-24)20(13-6-8-14(9-7-13)25(28,29)30)15(12-31)23(32)33(18)22-16(26)4-3-5-17(22)27/h3-9,20H,10-11,32H2,1-2H3
InChIKey JGBIPDKSCSWHCD-UHFFFAOYSA-N
Molecular Weight 473.447 g/mol
SMILES NC1=C(C#N)C(C2=C(N1c1c(F)cccc1F)CC(CC2=O)(C)C)c1ccc(C(F)(F)F)cc1
SPLASH splash10-004i-4924000000-f29465653219dce2f47b
Synonyms 2-Amino-1-(2,6-difluorophenyl)-7,7-dimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile 2-Azanyl-1-[2,6-bis(fluoranyl)phenyl]-7,7-dimethyl-5-oxidanylidene-4-[4-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile
Wiley ID 1453886