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2-Amino-1-(3-chlorophenyl)-4-(4-fluorophenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile
SpectraBase Compound ID D0fB5QbkxvY
InChI InChI=1S/C24H21ClFN3O/c1-24(2)11-19-22(20(30)12-24)21(14-6-8-16(26)9-7-14)18(13-27)23(28)29(19)17-5-3-4-15(25)10-17/h3-10,21H,11-12,28H2,1-2H3
InChIKey ZCQFOXYQGBAKCK-UHFFFAOYSA-N
Mol Weight 421.9 g/mol
Molecular Formula C24H21ClFN3O
Exact Mass 421.135718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7PWeAKaXFOe
Name 2-Amino-1-(3-chlorophenyl)-4-(4-fluorophenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H21ClFN3O
InChI InChI=1S/C24H21ClFN3O/c1-24(2)11-19-22(20(30)12-24)21(14-6-8-16(26)9-7-14)18(13-27)23(28)29(19)17-5-3-4-15(25)10-17/h3-10,21H,11-12,28H2,1-2H3
InChIKey ZCQFOXYQGBAKCK-UHFFFAOYSA-N
Molecular Weight 421.903 g/mol
SMILES NC1=C(C(C2=C(CC(CC2=O)(C)C)N1c1cc(Cl)ccc1)c1ccc(cc1)F)C#N
SPLASH splash10-004i-1319100000-6b238e81b89c3000c955
Synonyms 2-Amino-1-(3-chlorophenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile 2-Azanyl-1-(3-chlorophenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile
Wiley ID 1453784