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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-[(3s,6as,8s,10as)-1-[(3,5-dichlorophenyl)-oxomethyl]-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-[(3s,6as,8s,10as)-1-[(3,5-dichlorophenyl)-oxomethyl]-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-[(3s,6as,8s,10as)-1-[(3,5-dichlorophenyl)-oxomethyl]-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-[(3s,6as,8s,10as)-1-[(3,5-dichlorophenyl)-oxomethyl]-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-[(3s,6as,8s,10as)-1-[(3,5-dichlorophenyl)-oxomethyl]-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-[(3s,6as,8s,10as)-1-[(3,5-dichlorophenyl)-oxomethyl]-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-[(3s,6as,8s,10as)-1-[(3,5-dichlorophenyl)-oxomethyl]-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-[(3s,6as,8s,10as)-1-[(3,5-dichlorophenyl)-oxomethyl]-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

  • C27H30Cl2N2O5

inchi

  • InChI=1S/C27H30Cl2N2O5/c28-20-9-19(10-21(29)11-20)27(34)31-14-22(32)15-35-16-25-24(31)6-5-23(36-25)12-26(33)30-8-7-17-3-1-2-4-18(17)13-30/h1-4,9-11,22-25,32H,5-8,12-16H2/t22-,23-,24-,25+/m0/s1

inchikey

  • RFSVTUPSJXWLCE-OJJQZRKESA-N

mass

  • 533.444

monoisotopicmass

  • 532.15318

smiles

  • C1C[C@H]2[C@@H](COC[C@H](CN2C(=O)C3=CC(=CC(=C3)Cl)Cl)O)O[C@@H]1CC(=O)N4CCC5=CC=CC=C5C4

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:102766

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