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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > quinolines > 3-[(3ar,4r,9br)-1-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile
... > 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 > quinolines > 3-[(3ar,4r,9br)-1-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > quinolines > 3-[(3ar,4r,9br)-1-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > quinolines > 3-[(3ar,4r,9br)-1-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > quinolines > 3-[(3ar,4r,9br)-1-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile
... > 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 > quinolines > 3-[(3ar,4r,9br)-1-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > quinolines > 3-[(3ar,4r,9br)-1-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile

Preferred term

3-[(3ar,4r,9br)-1-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile  

Type

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

Broader concept

charge

  • 0

formula

  • C27H25N3O3

inchi

  • InChI=1S/C27H25N3O3/c28-13-17-2-1-3-19(10-17)20-5-6-23-22(12-20)27-21(24(15-31)29-23)8-9-30(27)14-18-4-7-25-26(11-18)33-16-32-25/h1-7,10-12,21,24,27,29,31H,8-9,14-16H2/t21-,24+,27-/m1/s1

inchikey

  • XYLNJKDQZFYWCE-SSEPRJSISA-N

mass

  • 439.507

monoisotopicmass

  • 439.18959

smiles

  • C1CN([C@@H]2[C@H]1[C@@H](NC3=C2C=C(C=C3)C4=CC=CC(=C4)C#N)CO)CC5=CC6=C(C=C5)OCO6

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:130266

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