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2-Amino-1-(p-fluorophenyl)-4-(4'-chlorophenyl)-8,8-dimethyl-3-(aminocarbonyl)-5-oxo-4,5,6,7,8,9-hexahydro-1H-pyrido[3,2-c]azepine

View entire compound with spectra: 1 MS (GC)

2-Amino-1-(p-fluorophenyl)-4-(4'-chlorophenyl)-8,8-dimethyl-3-(aminocarbonyl)-5-oxo-4,5,6,7,8,9-hexahydro-1H-pyrido[3,2-c]azepine
SpectraBase Compound ID DhsBiqbhgw9
InChI InChI=1S/C24H24ClFN4O2/c1-24(2)11-17-19(23(32)29-12-24)18(13-3-5-14(25)6-4-13)20(22(28)31)21(27)30(17)16-9-7-15(26)8-10-16/h3-10,18H,11-12,27H2,1-2H3,(H2,28,31)(H,29,32)
InChIKey YRWYOQFCTWTJJK-UHFFFAOYSA-N
Mol Weight 454.93 g/mol
Molecular Formula C24H24ClFN4O2
Exact Mass 454.157182 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3SG6WfR4bkm
Name 2-Amino-1-(p-fluorophenyl)-4-(4'-chlorophenyl)-8,8-dimethyl-3-(aminocarbonyl)-5-oxo-4,5,6,7,8,9-hexahydro-1H-pyrido[3,2-c]azepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H24ClFN4O2
InChI InChI=1S/C24H24ClFN4O2/c1-24(2)11-17-19(23(32)29-12-24)18(13-3-5-14(25)6-4-13)20(22(28)31)21(27)30(17)16-9-7-15(26)8-10-16/h3-10,18H,11-12,27H2,1-2H3,(H2,28,31)(H,29,32)
InChIKey YRWYOQFCTWTJJK-UHFFFAOYSA-N
Molecular Weight 454.933 g/mol
SMILES N1CC(CC2=C(C(C(=C(N2c2ccc(cc2)F)N)C(=O)N)c2ccc(cc2)Cl)C1=O)(C)C
SPLASH splash10-03di-0001900000-8e85365889d3af72478a
Source of Spectrum AH-138-224-31
Synonyms 2-Amino-4-(4-chlorophenyl)-1-(4-fluorophenyl)-8,8-dimethyl-5-oxo-4,5,6,7,8,9-hexahydro-1H-pyrido[3,2-c]azepine-3-carboxamide
Wiley ID 1612340