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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > piperidines > (1r,5s)-6-(2-pyridinylmethyl)-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > piperidines > (1r,5s)-6-(2-pyridinylmethyl)-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > piperidines > (1r,5s)-6-(2-pyridinylmethyl)-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > piperidines > (1r,5s)-6-(2-pyridinylmethyl)-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane

Preferred term

(1r,5s)-6-(2-pyridinylmethyl)-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane  

Type

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

Broader concept

charge

  • 0

formula

  • C22H22N4

inchi

  • InChI=1S/C22H22N4/c1-2-11-25-19(5-1)15-26-20-13-24-14-21(26)22(20)17-8-6-16(7-9-17)18-4-3-10-23-12-18/h1-12,20-22,24H,13-15H2/t20-,21+,22?

inchikey

  • IOOKZCUZIZVBKV-CBQGHPETSA-N

mass

  • 342.438

monoisotopicmass

  • 342.18445

smiles

  • C1[C@@H]2C([C@@H](N2CC3=CC=CC=N3)CN1)C4=CC=C(C=C4)C5=CN=CC=C5

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:128486

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