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4-[[3-[6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-1-yl]methyl]benzoic acid methyl ester

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4-[[3-[6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-1-yl]methyl]benzoic acid methyl ester
SpectraBase Compound ID 7TAhbTBRo2j
InChI InChI=1S/C28H29N5O2/c1-35-28(34)19-15-13-18(14-16-19)17-33-25-12-5-3-8-21(25)27(32-33)24-11-6-10-23(29-24)26-20-7-2-4-9-22(20)30-31-26/h6,10-11,13-16H,2-5,7-9,12,17H2,1H3,(H,30,31)
InChIKey JTGNLNIXXBCGIT-UHFFFAOYSA-N
Mol Weight 467.57 g/mol
Molecular Formula C28H29N5O2
Exact Mass 467.232125 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31HGumfmuwv
Name 4-[[3-[6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-1-yl]methyl]benzoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H29N5O2
InChI InChI=1S/C28H29N5O2/c1-35-28(34)19-15-13-18(14-16-19)17-33-25-12-5-3-8-21(25)27(32-33)24-11-6-10-23(29-24)26-20-7-2-4-9-22(20)30-31-26/h6,10-11,13-16H,2-5,7-9,12,17H2,1H3,(H,30,31)
InChIKey JTGNLNIXXBCGIT-UHFFFAOYSA-N
Molecular Weight 467.573 g/mol
SMILES [nH]1c2c(c(n1)-c1nc(-c3n[n](c4CCCCc34)Cc3ccc(C(=O)OC)cc3)ccc1)CCCC2
SPLASH splash10-00l6-9200000000-5b1412b4ebe52ce93060
Source of Spectrum J-63-239-4
Synonyms 4-[[3-[6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-2-pyridyl]-4,5,6,7-tetrahydroindazol-1-yl]methyl]benzoic acid methyl ester Methyl 4-[[3-[6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-2-pyridyl]-4,5,6,7-tetrahydroindazol-1-yl]methyl]benzoate Methyl 4-[[3-[6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)pyridin-2-yl]-4,5,6,7-tetrahydroindazol-1-yl]methyl]benzoate
Wiley ID 1392214