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2-Amino-4-(3-chlorophenyl)-1-(2,6-difluorophenyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SpectraBase Compound ID LtVAoy5NLei
InChI InChI=1S/C22H16ClF2N3O/c23-13-5-1-4-12(10-13)19-14(11-26)22(27)28(17-8-3-9-18(29)20(17)19)21-15(24)6-2-7-16(21)25/h1-2,4-7,10,19H,3,8-9,27H2
InChIKey JFDWJZJNKCZXHS-UHFFFAOYSA-N
Mol Weight 411.84 g/mol
Molecular Formula C22H16ClF2N3O
Exact Mass 411.094996 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Si1MVHnEwc
Name 2-Amino-4-(3-chlorophenyl)-1-(2,6-difluorophenyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile
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Formula C22H16ClF2N3O
InChI InChI=1S/C22H16ClF2N3O/c23-13-5-1-4-12(10-13)19-14(11-26)22(27)28(17-8-3-9-18(29)20(17)19)21-15(24)6-2-7-16(21)25/h1-2,4-7,10,19H,3,8-9,27H2
InChIKey JFDWJZJNKCZXHS-UHFFFAOYSA-N
Molecular Weight 411.840 g/mol
SMILES NC1=C(C#N)C(C2=C(N1c1c(F)cccc1F)CCCC2=O)c1cc(Cl)ccc1
SPLASH splash10-0ufr-3719000000-6d4f2ea579feedaef525
Synonyms 2-Amino-4-(3-chlorophenyl)-1-(2,6-difluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile 2-Azanyl-1-[2,6-bis(fluoranyl)phenyl]-4-(3-chlorophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Wiley ID 1453619