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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > pyridines > phenylpyridine > [(8s,9r,10r)-6-[(3-methoxyphenyl)methyl]-9-[4-(3-pyridinyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > pyridines > phenylpyridine > [(8s,9r,10r)-6-[(3-methoxyphenyl)methyl]-9-[4-(3-pyridinyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > pyridines > phenylpyridine > [(8s,9r,10r)-6-[(3-methoxyphenyl)methyl]-9-[4-(3-pyridinyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > pyridines > phenylpyridine > [(8s,9r,10r)-6-[(3-methoxyphenyl)methyl]-9-[4-(3-pyridinyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

Preferred term

[(8s,9r,10r)-6-[(3-methoxyphenyl)methyl]-9-[4-(3-pyridinyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol  

Type

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

Broader concept

charge

  • 0

formula

  • C28H33N3O2

inchi

  • InChI=1S/C28H33N3O2/c1-33-25-8-4-6-21(16-25)18-30-14-2-3-15-31-26(19-30)28(27(31)20-32)23-11-9-22(10-12-23)24-7-5-13-29-17-24/h4-13,16-17,26-28,32H,2-3,14-15,18-20H2,1H3/t26-,27+,28-/m1/s1

inchikey

  • KHWAIWRVNCDSPP-OZNIXHKMSA-N

mass

  • 443.582

monoisotopicmass

  • 443.25728

smiles

  • COC1=CC=CC(=C1)CN2CCCCN3[C@H](C2)[C@H]([C@@H]3CO)C4=CC=C(C=C4)C5=CN=CC=C5

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:128012

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