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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-phenylethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile

Preferred term

3-[4-[(8r,9r,10r)-10-(hydroxymethyl)-6-(1-oxo-2-phenylethyl)-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

  • C30H31N3O2

inchi

  • InChI=1S/C30H31N3O2/c31-19-23-9-6-10-26(17-23)24-11-13-25(14-12-24)30-27-20-32(15-4-5-16-33(27)28(30)21-34)29(35)18-22-7-2-1-3-8-22/h1-3,6-14,17,27-28,30,34H,4-5,15-16,18,20-21H2/t27-,28-,30+/m0/s1

inchikey

  • MZHQLKQQZJHEDF-TWLDFKIOSA-N

mass

  • 465.587

monoisotopicmass

  • 465.24163

smiles

  • C1CCN2[C@@H](CN(C1)C(=O)CC3=CC=CC=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:129022

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