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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > piperidines > (1s,5r)-n-(1,3-benzodioxol-5-yl)-7-[4-(3-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > piperidines > (1s,5r)-n-(1,3-benzodioxol-5-yl)-7-[4-(3-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > piperidines > (1s,5r)-n-(1,3-benzodioxol-5-yl)-7-[4-(3-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > piperidines > (1s,5r)-n-(1,3-benzodioxol-5-yl)-7-[4-(3-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > piperidines > (1s,5r)-n-(1,3-benzodioxol-5-yl)-7-[4-(3-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide

Preferred term

(1s,5r)-n-(1,3-benzodioxol-5-yl)-7-[4-(3-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide  

Type

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

Broader concept

charge

  • 0

formula

  • C26H25N3O4

inchi

  • InChI=1S/C26H25N3O4/c1-31-20-4-2-3-18(11-20)16-5-7-17(8-6-16)25-21-13-27-14-22(25)29(21)26(30)28-19-9-10-23-24(12-19)33-15-32-23/h2-12,21-22,25,27H,13-15H2,1H3,(H,28,30)/t21-,22+,25?

inchikey

  • SBDAHCSXNULONN-OFFJZUQKSA-N

mass

  • 443.495

monoisotopicmass

  • 443.18451

smiles

  • COC1=CC=CC(=C1)C2=CC=C(C=C2)C3[C@H]4CNC[C@@H]3N4C(=O)NC5=CC6=C(C=C5)OCO6

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:126936

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