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Chemistry, part 1

Content language

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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 > cyanides > nitrile > 3-[4-[(1r,5s)-3-[1,3-benzodioxol-5-yl(oxo)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile

Preferred term

3-[4-[(1r,5s)-3-[1,3-benzodioxol-5-yl(oxo)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile  

Type

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

Broader concept

charge

  • 0

formula

  • C26H21N3O3

inchi

  • InChI=1S/C26H21N3O3/c27-12-16-2-1-3-19(10-16)17-4-6-18(7-5-17)25-21-13-29(14-22(25)28-21)26(30)20-8-9-23-24(11-20)32-15-31-23/h1-11,21-22,25,28H,13-15H2/t21-,22+,25?

inchikey

  • OYYJXKYOUHORTN-OFFJZUQKSA-N

mass

  • 423.464

monoisotopicmass

  • 423.15829

smiles

  • C1[C@@H]2C([C@@H](N2)CN1C(=O)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)C6=CC=CC(=C6)C#N

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:125069

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