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3H-pyrazol-3-one, 2-(4-fluorophenyl)-2,4-dihydro-4-[[(2-hydroxy-2-phenylethyl)amino]methylene]-5-propyl-, (4E)-
SpectraBase Compound ID L7ruWeT3teF
InChI InChI=1S/C21H22FN3O2/c1-2-6-19-18(13-23-14-20(26)15-7-4-3-5-8-15)21(27)25(24-19)17-11-9-16(22)10-12-17/h3-5,7-13,20,23,26H,2,6,14H2,1H3/b18-13+
InChIKey BRYOBWUWNPFOLE-QGOAFFKASA-N
Mol Weight 367.42 g/mol
Molecular Formula C21H22FN3O2
Exact Mass 367.169605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7XKh2tFchrQ
Name (4E)-2-(4-fluorophenyl)-4-[[(2-hydroxy-2-phenyl-ethyl)amino]methylene]-5-propyl-2-pyrazolin-3-one
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Formula C21H22FN3O2
InChI InChI=1S/C21H22FN3O2/c1-2-6-19-18(13-23-14-20(26)15-7-4-3-5-8-15)21(27)25(24-19)17-11-9-16(22)10-12-17/h3-5,7-13,20,23,26H,2,6,14H2,1H3/b18-13+
InChIKey BRYOBWUWNPFOLE-QGOAFFKASA-N
Molecular Weight 367.424 g/mol
SMILES N(\C=C\1C(N(N=C1CCC)c1ccc(cc1)F)=O)CC(c1ccccc1)O
SPLASH splash10-03di-4492000000-39c8e02804f929add1e8
Synonyms (4E)-2-(4-fluorophenyl)-4-[[(2-hydroxy-2-phenyl-ethyl)amino]methylene]-5-propyl-pyrazol-3-one (4E)-2-(4-fluorophenyl)-4-[[(2-hydroxy-2-phenylethyl)amino]methylidene]-5-propyl-3-pyrazolone (4E)-2-(4-fluorophenyl)-4-[[(2-hydroxy-2-phenylethyl)amino]methylidene]-5-propylpyrazol-3-one (4E)-2-(4-fluorophenyl)-4-[[(2-oxidanyl-2-phenyl-ethyl)amino]methylidene]-5-propyl-pyrazol-3-one
Wiley ID 1453513