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Concept information

Preferred term

N (/{(2r,4s,5r) 5 [3 (4 fluorophenyl) 1 methyl 1h pyrazol 5 yl] 1 azabiciklo[2.2.2]oct 2 yl/}methyl) 4 methoxybenzamide  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C26H29FN4O2

inchi

  • InChI=1S/C26H29FN4O2/c1-30-25(14-24(29-30)17-3-7-20(27)8-4-17)23-16-31-12-11-19(23)13-21(31)15-28-26(32)18-5-9-22(33-2)10-6-18/h3-10,14,19,21,23H,11-13,15-16H2,1-2H3,(H,28,32)/t19-,21+,23-/m0/s1

inchikey

  • XNQKIMQOJHGNIR-WPYKKVEZSA-N

mass

  • 448.542

monoisotopicmass

  • 448.22745

smiles

  • FC1=CC=C(C2=NN(C([C@@]3([C@@]4(C[C@@H](N(C3)CC4)CNC(=O)C5=CC=C(OC)C=C5)[H])[H])=C2)C)C=C1

subset

  • 2_STAR

synonym EXACT

  • N-[[(2R,4S,5R)-5-[5-(4-luorophenyl)-2-methylpyrazol-3-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-4-methoxybenzamide

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:189469

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