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6-Ethoxycarbonyl-1-phenyl-4-[2-(1-phenyl-5-pyrazolyl)-1-(ethoxycarbonyl)ethenylamino]-1H-pyrazolo[4,3-c]pyridine
SpectraBase Compound ID IfwchUKFhak
InChI InChI=1S/C29H26N6O4/c1-3-38-28(36)24(17-22-15-16-30-34(22)20-11-7-5-8-12-20)32-27-23-19-31-35(21-13-9-6-10-14-21)26(23)18-25(33-27)29(37)39-4-2/h5-19H,3-4H2,1-2H3,(H,32,33)/b24-17+
InChIKey LWGKHMROBAKRCC-JJIBRWJFSA-N
Mol Weight 522.57 g/mol
Molecular Formula C29H26N6O4
Exact Mass 522.201553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LtLO2zoqRh2
Name 6-Ethoxycarbonyl-1-phenyl-4-[2-(1-phenyl-5-pyrazolyl)-1-(ethoxycarbonyl)ethenylamino]-1H-pyrazolo[4,3-c]pyridine
Comments Less than 3 mono-isotopic peaks
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Formula C29H26N6O4
InChI InChI=1S/C29H26N6O4/c1-3-38-28(36)24(17-22-15-16-30-34(22)20-11-7-5-8-12-20)32-27-23-19-31-35(21-13-9-6-10-14-21)26(23)18-25(33-27)29(37)39-4-2/h5-19H,3-4H2,1-2H3,(H,32,33)/b24-17+
InChIKey LWGKHMROBAKRCC-JJIBRWJFSA-N
Molecular Weight 522.565 g/mol
SMILES N(\C(=C\c1[n](ncc1)-c1ccccc1)C(=O)OCC)c1c2c([n](nc2)-c2ccccc2)cc(n1)C(=O)OCC
SPLASH splash10-006t-0000950000-5789699b7b526d36d237
Source of Spectrum F-47-6745-14
Synonyms ethyl 4-{[(E)-1-(ethoxycarbonyl)-2-(1-phenyl-1H-pyrazol-5-yl)ethenyl]amino}-1-phenyl-1H-pyrazolo[4,3-c]pyridine-6-carboxylate
Wiley ID 1402274