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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > organofluorine compound > (trifluoromethyl)benzenes > 2-[(3r,6ar,8r,10ar)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-(2-pyridin-4-ylethyl)acetamide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > (trifluoromethyl)benzenes > 2-[(3r,6ar,8r,10ar)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-(2-pyridin-4-ylethyl)acetamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > (trifluoromethyl)benzenes > 2-[(3r,6ar,8r,10ar)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-(2-pyridin-4-ylethyl)acetamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > (trifluoromethyl)benzenes > 2-[(3r,6ar,8r,10ar)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-(2-pyridin-4-ylethyl)acetamide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > (trifluoromethyl)benzenes > 2-[(3r,6ar,8r,10ar)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-(2-pyridin-4-ylethyl)acetamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > (trifluoromethyl)benzenes > 2-[(3r,6ar,8r,10ar)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-(2-pyridin-4-ylethyl)acetamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > (trifluoromethyl)benzenes > 2-[(3r,6ar,8r,10ar)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-(2-pyridin-4-ylethyl)acetamide

Preferred term

2-[(3r,6ar,8r,10ar)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-(2-pyridin-4-ylethyl)acetamide  

Type

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

charge

  • 0

formula

  • C26H32F3N3O4

inchi

  • InChI=1S/C26H32F3N3O4/c27-26(28,29)20-3-1-2-19(12-20)14-32-15-21(33)16-35-17-24-23(32)5-4-22(36-24)13-25(34)31-11-8-18-6-9-30-10-7-18/h1-3,6-7,9-10,12,21-24,33H,4-5,8,11,13-17H2,(H,31,34)/t21-,22-,23-,24+/m1/s1

inchikey

  • QCHQNBIYSRQADD-YCAMKHIRSA-N

mass

  • 507.546

monoisotopicmass

  • 507.23449

smiles

  • C1C[C@@H]2[C@H](COC[C@@H](CN2CC3=CC(=CC=C3)C(F)(F)F)O)O[C@H]1CC(=O)NCCC4=CC=NC=C4

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:97501

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