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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 > 2-(dimethylamino)-1-[(1r,5s)-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > piperidines > 2-(dimethylamino)-1-[(1r,5s)-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > piperidines > 2-(dimethylamino)-1-[(1r,5s)-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > piperidines > 2-(dimethylamino)-1-[(1r,5s)-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanone

Preferred term

2-(dimethylamino)-1-[(1r,5s)-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanone  

Type

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

Broader concept

charge

  • 0

formula

  • C20H24N4O

inchi

  • InChI=1S/C20H24N4O/c1-23(2)13-19(25)24-11-17-20(18(12-24)22-17)16-5-3-14(4-6-16)15-7-9-21-10-8-15/h3-10,17-18,20,22H,11-13H2,1-2H3/t17-,18+,20?

inchikey

  • BEQVLJNRSBTXGU-UFRUDQCGSA-N

mass

  • 336.432

monoisotopicmass

  • 336.19501

smiles

  • CN(C)CC(=O)N1C[C@@H]2C([C@H](C1)N2)C3=CC=C(C=C3)C4=CC=NC=C4

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:125119

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