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4-((E)-((3E,5Z)-2-Imino-4-(piperidin-1-yl)-2H-benzo[b][1,5]oxazocin-3-yl)diazenyl)-1,5-di-methyl-2-phenyl-1H-pyrazol-3(2H)-one

View entire compound with spectra: 1 MS (GC)

4-((E)-((3E,5Z)-2-Imino-4-(piperidin-1-yl)-2H-benzo[b][1,5]oxazocin-3-yl)diazenyl)-1,5-di-methyl-2-phenyl-1H-pyrazol-3(2H)-one
SpectraBase Compound ID GOtTnN4Hjx4
InChI InChI=1S/C26H27N7O2/c1-18-22(26(34)33(31(18)2)20-12-5-3-6-13-20)29-30-23-24(27)35-21-14-8-7-11-19(21)17-28-25(23)32-15-9-4-10-16-32/h3,5-8,11-14,17,27H,4,9-10,15-16H2,1-2H3/b25-23-,27-24?,28-17-,30-29+
InChIKey GDJDWMUUHCMLBK-DMZLMFNVSA-N
Mol Weight 469.55 g/mol
Molecular Formula C26H27N7O2
Exact Mass 469.222623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DHJFocyK3Aq
Name 4-((E)-((3E,5Z)-2-Imino-4-(piperidin-1-yl)-2H-benzo[b][1,5]oxazocin-3-yl)diazenyl)-1,5-di-methyl-2-phenyl-1H-pyrazol-3(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H27N7O2
InChI InChI=1S/C26H27N7O2/c1-18-22(26(34)33(31(18)2)20-12-5-3-6-13-20)29-30-23-24(27)35-21-14-8-7-11-19(21)17-28-25(23)32-15-9-4-10-16-32/h3,5-8,11-14,17,27H,4,9-10,15-16H2,1-2H3/b25-23-,27-24?,28-17-,30-29+
InChIKey GDJDWMUUHCMLBK-DMZLMFNVSA-N
Molecular Weight 469.549 g/mol
SMILES N=C1\C(\N=N\C=2C(N(c3ccccc3)N(C2C)C)=O)=C/(\N=C/c2c(O1)cccc2)N1CCCCC1
SPLASH splash10-0a4i-9211000000-44ac351696a46d854d0b
Source of Spectrum Y-51-1702-12
Synonyms 4-((E)-((3E,5Z)-2-imino-4-(piperidin-1-yl)-2H-benzo[b][1,5]oxazocin-3-yl)diazenyl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
Wiley ID 1741639