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6-Bromo-3-[5-(3-nitro-phenyl)-1-propionyl-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1H-quinolin-2-one
SpectraBase Compound ID 7rDCNbDppUL
InChI InChI=1S/C27H21BrN4O4/c1-2-24(33)31-23(17-9-6-10-19(13-17)32(35)36)15-22(30-31)26-25(16-7-4-3-5-8-16)20-14-18(28)11-12-21(20)29-27(26)34/h3-14,23H,2,15H2,1H3,(H,29,34)
InChIKey AJTDYJKHUMMPPU-UHFFFAOYSA-N
Mol Weight 545.39 g/mol
Molecular Formula C27H21BrN4O4
Exact Mass 544.074618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8vjFtj54ywQ
Name 6-Bromo-3-[5-(3-nitro-phenyl)-1-propionyl-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1H-quinolin-2-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H21BrN4O4
InChI InChI=1S/C27H21BrN4O4/c1-2-24(33)31-23(17-9-6-10-19(13-17)32(35)36)15-22(30-31)26-25(16-7-4-3-5-8-16)20-14-18(28)11-12-21(20)29-27(26)34/h3-14,23H,2,15H2,1H3,(H,29,34)
InChIKey AJTDYJKHUMMPPU-UHFFFAOYSA-N
Molecular Weight 545.393 g/mol
SMILES N1c2ccc(cc2C(=C(C1=O)C1=NN(C(=O)CC)C(C1)c1cc(N(=O)=O)ccc1)c1ccccc1)Br
SPLASH splash10-0aor-9445100000-8c88b5d733407008b23f
Synonyms 6-Bromo-3-[5-(3-nitrophenyl)-1-propionyl-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-2(1H)-quinolinone
Wiley ID 1461658