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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-[(8r,9r,10r)-10-(hydroxymethyl)-6-(1-oxo-2-pyridin-4-ylethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile

Preferred term

3-[4-[(8r,9r,10r)-10-(hydroxymethyl)-6-(1-oxo-2-pyridin-4-ylethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile  

Type

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

Broader concept

charge

  • 0

formula

  • C29H30N4O2

inchi

  • InChI=1S/C29H30N4O2/c30-18-22-4-3-5-25(16-22)23-6-8-24(9-7-23)29-26-19-32(14-1-2-15-33(26)27(29)20-34)28(35)17-21-10-12-31-13-11-21/h3-13,16,26-27,29,34H,1-2,14-15,17,19-20H2/t26-,27-,29+/m0/s1

inchikey

  • DPTKBUJKCZTPNA-HPUNYJORSA-N

mass

  • 466.575

monoisotopicmass

  • 466.23688

smiles

  • C1CCN2[C@@H](CN(C1)C(=O)CC3=CC=NC=C3)[C@H]([C@@H]2CO)C4=CC=C(C=C4)C5=CC=CC(=C5)C#N

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:129777

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