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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 > n-[(1r,3s,4as,9ar)-3-[2-(3,4-dihydro-1h-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > isoquinolines > n-[(1r,3s,4as,9ar)-3-[2-(3,4-dihydro-1h-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
... > 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 > n-[(1r,3s,4as,9ar)-3-[2-(3,4-dihydro-1h-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > isoquinolines > n-[(1r,3s,4as,9ar)-3-[2-(3,4-dihydro-1h-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > isoquinolines > n-[(1r,3s,4as,9ar)-3-[2-(3,4-dihydro-1h-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
... > 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 > n-[(1r,3s,4as,9ar)-3-[2-(3,4-dihydro-1h-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > isoquinolines > n-[(1r,3s,4as,9ar)-3-[2-(3,4-dihydro-1h-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide

Preferred term

n-[(1r,3s,4as,9ar)-3-[2-(3,4-dihydro-1h-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C28H32N2O5

inchi

  • InChI=1S/C28H32N2O5/c31-16-25-28-23(22-12-20(7-8-24(22)35-28)29-26(32)11-17-5-6-17)13-21(34-25)14-27(33)30-10-9-18-3-1-2-4-19(18)15-30/h1-4,7-8,12,17,21,23,25,28,31H,5-6,9-11,13-16H2,(H,29,32)/t21-,23-,25+,28+/m0/s1

inchikey

  • HDZKHFXEQLFVHO-GUAPPOABSA-N

mass

  • 476.565

monoisotopicmass

  • 476.23112

smiles

  • C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@@H]4CO)CC(=O)N5CCC6=CC=CC=C6C5

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:110404

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