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5-(4-Bromo-benzoyl)-4-hydroxy-2-phenyl-4-piperidin-1-yl-2,4-dihydro-pyrazol-3-one

View entire compound with spectra: 1 MS (GC)

5-(4-Bromo-benzoyl)-4-hydroxy-2-phenyl-4-piperidin-1-yl-2,4-dihydro-pyrazol-3-one
SpectraBase Compound ID LRiRHeUKmJS
InChI InChI=1S/C21H20BrN3O3/c22-16-11-9-15(10-12-16)18(26)19-21(28,24-13-5-2-6-14-24)20(27)25(23-19)17-7-3-1-4-8-17/h1,3-4,7-12,28H,2,5-6,13-14H2
InChIKey NAWRYKANXBDBJO-UHFFFAOYSA-N
Mol Weight 442.31 g/mol
Molecular Formula C21H20BrN3O3
Exact Mass 441.068805 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4SOzeW3jCy
Name 5-(4-Bromo-benzoyl)-4-hydroxy-2-phenyl-4-piperidin-1-yl-2,4-dihydro-pyrazol-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20BrN3O3
InChI InChI=1S/C21H20BrN3O3/c22-16-11-9-15(10-12-16)18(26)19-21(28,24-13-5-2-6-14-24)20(27)25(23-19)17-7-3-1-4-8-17/h1,3-4,7-12,28H,2,5-6,13-14H2
InChIKey NAWRYKANXBDBJO-UHFFFAOYSA-N
Molecular Weight 442.313 g/mol
SMILES OC1(C(N(c2ccccc2)N=C1C(c1ccc(cc1)Br)=O)=O)N1CCCCC1
SPLASH splash10-0006-9400000000-d1fad1081f36e26c7ea4
Synonyms 5-(4-Bromobenzoyl)-4-hydroxy-2-phenyl-4-(1-piperidinyl)-2,4-dihydro-3H-pyrazol-3-one
Wiley ID 1448188