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Chemistry, part 2

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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 > isoquinolines > 2-[(3r,6as,8s,10as)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1h-isoquinolin-2-yl)ethanone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > isoquinolines > 2-[(3r,6as,8s,10as)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1h-isoquinolin-2-yl)ethanone
... > 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 heterocyclic compound > organonitrogen heterocyclic compound > isoquinolines > 2-[(3r,6as,8s,10as)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1h-isoquinolin-2-yl)ethanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > isoquinolines > 2-[(3r,6as,8s,10as)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1h-isoquinolin-2-yl)ethanone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > isoquinolines > 2-[(3r,6as,8s,10as)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1h-isoquinolin-2-yl)ethanone
... > 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 heterocyclic compound > organic heteropolycyclic compound > isoquinolines > 2-[(3r,6as,8s,10as)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1h-isoquinolin-2-yl)ethanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > isoquinolines > 2-[(3r,6as,8s,10as)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1h-isoquinolin-2-yl)ethanone

Preferred term

2-[(3r,6as,8s,10as)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1h-isoquinolin-2-yl)ethanone  

Type

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

Broader concept

charge

  • 0

formula

  • C27H33FN2O4

inchi

  • InChI=1S/C27H33FN2O4/c28-22-7-5-19(6-8-22)14-30-16-23(31)17-33-18-26-25(30)10-9-24(34-26)13-27(32)29-12-11-20-3-1-2-4-21(20)15-29/h1-8,23-26,31H,9-18H2/t23-,24+,25+,26-/m1/s1

inchikey

  • KNZMNGHBCOUWJQ-KEVKATSASA-N

mass

  • 468.561

monoisotopicmass

  • 468.24244

smiles

  • C1C[C@H]2[C@@H](COC[C@@H](CN2CC3=CC=C(C=C3)F)O)O[C@@H]1CC(=O)N4CCC5=CC=CC=C5C4

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:126588

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