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4-((E)-((1Z,3E)-5-Imino-3-(piperidin-1-yl)-5H-naphtho[2,1-b][1,4,5]oxadi-azocin-4-yl)diazenyl)-1,5-dimethyl-2-phenyl-1Hpyrazol-3(2H)-one

View entire compound with spectra: 1 MS (GC)

4-((E)-((1Z,3E)-5-Imino-3-(piperidin-1-yl)-5H-naphtho[2,1-b][1,4,5]oxadi-azocin-4-yl)diazenyl)-1,5-dimethyl-2-phenyl-1Hpyrazol-3(2H)-one
SpectraBase Compound ID 5Nu68JIfMeo
InChI InChI=1S/C29H28N8O2/c1-19-24(29(38)37(35(19)2)21-12-5-3-6-13-21)31-33-26-27(30)39-23-16-15-20-11-7-8-14-22(20)25(23)32-34-28(26)36-17-9-4-10-18-36/h3,5-8,11-16,30H,4,9-10,17-18H2,1-2H3/b28-26-,30-27?,33-31+,34-32-
InChIKey RHMBJXGFZJZVBD-IJAKTEHDSA-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 1MUAfpYovKA
Name 4-((E)-((1Z,3E)-5-Imino-3-(piperidin-1-yl)-5H-naphtho[2,1-b][1,4,5]oxadi-azocin-4-yl)diazenyl)-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)31-33-26-27(30)39-23-16-15-20-11-7-8-14-22(20)25(23)32-34-28(26)36-17-9-4-10-18-36/h3,5-8,11-16,30H,4,9-10,17-18H2,1-2H3/b28-26-,30-27?,33-31+,34-32-
InChIKey RHMBJXGFZJZVBD-IJAKTEHDSA-N
Molecular Weight 520.597 g/mol
SMILES N=C1\C(=C/(\N=N/c2c(O1)ccc1c2cccc1)N1CCCCC1)\N=N\C=1C(N(c2ccccc2)N(C1C)C)=O
SPLASH splash10-0a4i-9210000000-818711551543f508da5c
Source of Spectrum Y-51-1702-14
Synonyms 4-((E)-((1Z,3E)-5-Imino-3-(piperidin-1-yl)-5H-naphtho[2,1-b][1,4,5]oxadi-azocin-4-yl)diazenyl)-1,5-dimethyl-2-phenyl-1Hpyrazol-3(2H)-one 4-((E)-((1Z,3E)-5-imino-3-(piperidin-1-yl)-5H-naphtho[2,1-b][1,4,5]oxadiazocin-4-yl)diazenyl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
Wiley ID 1741637