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4-((E)-((1Z,3E)-5-Imino-3-(piperidin-1-yl)-5H-naphtho[2,1-b][1,5]oxazocin-4-yl)diazenyl)-1,5-dimethyl-2-phenyl-1H-pyrazol-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][1,5]oxazocin-4-yl)diazenyl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
SpectraBase Compound ID DGPa5hyFAqp
InChI InChI=1S/C30H29N7O2/c1-20-26(30(38)37(35(20)2)22-12-5-3-6-13-22)33-34-27-28(31)39-25-16-15-21-11-7-8-14-23(21)24(25)19-32-29(27)36-17-9-4-10-18-36/h3,5-8,11-16,19,31H,4,9-10,17-18H2,1-2H3/b29-27-,31-28?,32-19-,34-33+
InChIKey YIBJAXFWLHPEBL-GIXVFSLJSA-N
Mol Weight 519.61 g/mol
Molecular Formula C30H29N7O2
Exact Mass 519.238273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KbEUssmRWxn
Name 4-((E)-((1Z,3E)-5-Imino-3-(piperidin-1-yl)-5H-naphtho[2,1-b][1,5]oxazocin-4-yl)diazenyl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H29N7O2
InChI InChI=1S/C30H29N7O2/c1-20-26(30(38)37(35(20)2)22-12-5-3-6-13-22)33-34-27-28(31)39-25-16-15-21-11-7-8-14-23(21)24(25)19-32-29(27)36-17-9-4-10-18-36/h3,5-8,11-16,19,31H,4,9-10,17-18H2,1-2H3/b29-27-,31-28?,32-19-,34-33+
InChIKey YIBJAXFWLHPEBL-GIXVFSLJSA-N
Molecular Weight 519.609 g/mol
SMILES N=C1\C(\N=N\C=2C(N(c3ccccc3)N(C2C)C)=O)=C/(\N=C/c2c(O1)ccc1ccccc21)N1CCCCC1
SPLASH splash10-0a6r-9420000000-ae888c245f0945b69dce
Source of Spectrum Y-51-1702-13
Wiley ID 1741638