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4-((E)-((3E,5Z)-2-Imino-4-(piperidin-1-yl)-2H-naphtho[1,2-b][1,4,5]oxadi-azocin-3-yl)di-azenyl)-1,5-dimethyl-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-naphtho[1,2-b][1,4,5]oxadi-azocin-3-yl)di-azenyl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
SpectraBase Compound ID CTeqi2nr8IR
InChI InChI=1S/C29H28N8O2/c1-19-24(29(38)37(35(19)2)21-12-5-3-6-13-21)32-33-25-27(30)39-26-22-14-8-7-11-20(22)15-16-23(26)31-34-28(25)36-17-9-4-10-18-36/h3,5-8,11-16,30H,4,9-10,17-18H2,1-2H3/b28-25-,30-27?,33-32+,34-31-
InChIKey ZJQNVHMNBHQXAA-BZKBVAADSA-N
Mol Weight 520.6 g/mol
Molecular Formula C29H28N8O2
Exact Mass 520.233522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CnDEFWHhYiS
Name 4-((E)-((3E,5Z)-2-Imino-4-(piperidin-1-yl)-2H-naphtho[1,2-b][1,4,5]oxadi-azocin-3-yl)di-azenyl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H28N8O2
InChI InChI=1S/C29H28N8O2/c1-19-24(29(38)37(35(19)2)21-12-5-3-6-13-21)32-33-25-27(30)39-26-22-14-8-7-11-20(22)15-16-23(26)31-34-28(25)36-17-9-4-10-18-36/h3,5-8,11-16,30H,4,9-10,17-18H2,1-2H3/b28-25-,30-27?,33-32+,34-31-
InChIKey ZJQNVHMNBHQXAA-BZKBVAADSA-N
Molecular Weight 520.597 g/mol
SMILES N=C1\C(=C/(\N=N/c2c(O1)c1c(cccc1)cc2)N1CCCCC1)\N=N\C=1C(N(c2ccccc2)N(C1C)C)=O
SPLASH splash10-0udr-9320020000-73e6478c38fd6bad856a
Source of Spectrum Y-51-1702-15
Synonyms 4-((E)-((3E,5Z)-2-Imino-4-(piperidin-1-yl)-2H-naphtho[1,2-b][1,4,5]oxadi-azocin-3-yl)di-azenyl)-1,5-dimethyl-2-phenyl-1Hpyrazol-3(2H)-one 4-((E)-((3E,5Z)-2-imino-4-(piperidin-1-yl)-2H-naphtho[1,2-b][1,4,5]oxadiazocin-3-yl)diazenyl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
Wiley ID 1741636