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3H-pyrazol-3-one, 4-[[[(4-chlorophenyl)methyl]amino]methylene]-2-(4-fluorophenyl)-2,4-dihydro-5-propyl-, (4E)-
SpectraBase Compound ID 3slg3SUHj7Z
InChI InChI=1S/C20H19ClFN3O/c1-2-3-19-18(13-23-12-14-4-6-15(21)7-5-14)20(26)25(24-19)17-10-8-16(22)9-11-17/h4-11,13,23H,2-3,12H2,1H3/b18-13+
InChIKey MDYMNDSDUVKULX-QGOAFFKASA-N
Mol Weight 371.84 g/mol
Molecular Formula C20H19ClFN3O
Exact Mass 371.120068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GOxe4qR5JPA
Name 4-[(4-Chloro-benzylamino)-methylene]-2-(4-fluoro-phenyl)-5-propyl-2,4-dihydro-pyrazol-3-one
Alternate Name(s) (4E)-4-[[(4-chlorobenzyl)amino]methylene]-2-(4-fluorophenyl)-5-propyl-2-pyrazolin-3-one (4E)-4-[[(4-chlorophenyl)methylamino]methylene]-2-(4-fluorophenyl)-5-propyl-pyrazol-3-one (4E)-4-[[(4-chlorophenyl)methylamino]methylidene]-2-(4-fluorophenyl)-5-propyl-3-pyrazolone (4E)-4-[[(4-chlorophenyl)methylamino]methylidene]-2-(4-fluorophenyl)-5-propyl-pyrazol-3-one
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Formula C20H19ClFN3O
InChI InChI=1S/C20H19ClFN3O/c1-2-3-19-18(13-23-12-14-4-6-15(21)7-5-14)20(26)25(24-19)17-10-8-16(22)9-11-17/h4-11,13,23H,2-3,12H2,1H3/b18-13+
InChIKey MDYMNDSDUVKULX-QGOAFFKASA-N
Molecular Weight 371.843 g/mol
SMILES N(\C=C\1C(N(N=C1CCC)c1ccc(cc1)F)=O)Cc1ccc(cc1)Cl
SPLASH splash10-004i-2933000000-3a0547dfc7a03feb1bd6
Wiley ID 1462558