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1,2,4-Oxadiazole-5-carboxamide, N-[[4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl]methyl]-3-[(4-iodo-1H-pyrazol-1-yl)methyl]-
SpectraBase Compound ID CxxjaRLluLA
InChI InChI=1S/C18H15ClIN7O2/c19-14-6-22-26(9-14)8-13-3-1-12(2-4-13)5-21-17(28)18-24-16(25-29-18)11-27-10-15(20)7-23-27/h1-4,6-7,9-10H,5,8,11H2,(H,21,28)
InChIKey QGAPHSUKPYLDSJ-UHFFFAOYSA-N
Mol Weight 523.72 g/mol
Molecular Formula C18H15ClIN7O2
Exact Mass 523.002045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F2pgLh6cspJ
Name 1,2,4-Oxadiazole-5-carboxamide, N-[[4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl]methyl]-3-[(4-iodo-1H-pyrazol-1-yl)methyl]-
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Formula C18H15ClIN7O2
InChI InChI=1S/C18H15ClIN7O2/c19-14-6-22-26(9-14)8-13-3-1-12(2-4-13)5-21-17(28)18-24-16(25-29-18)11-27-10-15(20)7-23-27/h1-4,6-7,9-10H,5,8,11H2,(H,21,28)
InChIKey QGAPHSUKPYLDSJ-UHFFFAOYSA-N
Molecular Weight 523.722 g/mol
SMILES N(Cc1ccc(cc1)C[n]1ncc(c1)Cl)C(=O)c1onc(n1)C[n]1cc(cn1)I
SPLASH splash10-0zfv-9730000000-9ed639860c97de2a126e
Source of Spectrum IY-2-5025-9
Synonyms N-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methyl)-3-[(4-iodo-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide N-[[4-[(4-chloro-1-pyrazolyl)methyl]phenyl]methyl]-3-[(4-iodo-1-pyrazolyl)methyl]-1,2,4-oxadiazole-5-carboxamide N-[[4-[(4-chloropyrazol-1-yl)methyl]phenyl]methyl]-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide N-[[4-[(4-chloranylpyrazol-1-yl)methyl]phenyl]methyl]-3-[(4-iodanylpyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
Wiley ID 1658242