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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-[(3,5-dimethoxyphenyl)methyl]-7-[4-(4-methylphenyl)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-[(3,5-dimethoxyphenyl)methyl]-7-[4-(4-methylphenyl)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-[(3,5-dimethoxyphenyl)methyl]-7-[4-(4-methylphenyl)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-[(3,5-dimethoxyphenyl)methyl]-7-[4-(4-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane

Preferred term

(1r,5s)-6-[(3,5-dimethoxyphenyl)methyl]-7-[4-(4-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane  

Type

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

Broader concept

charge

  • 0

formula

  • C27H30N2O2

inchi

  • InChI=1S/C27H30N2O2/c1-18-4-6-20(7-5-18)21-8-10-22(11-9-21)27-25-15-28-16-26(27)29(25)17-19-12-23(30-2)14-24(13-19)31-3/h4-14,25-28H,15-17H2,1-3H3/t25-,26+,27?

inchikey

  • RECJSIILAGWOGU-ZVBBVAIHSA-N

mass

  • 414.540

monoisotopicmass

  • 414.23073

smiles

  • CC1=CC=C(C=C1)C2=CC=C(C=C2)C3[C@H]4CNC[C@@H]3N4CC5=CC(=CC(=C5)OC)OC

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:127222

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