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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,10s)-6-[(2-fluorophenyl)methyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile

Preferred term

3-[4-[(8r,9r,10s)-6-[(2-fluorophenyl)methyl]-10-(hydroxymethyl)-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

  • C29H30FN3O

inchi

  • InChI=1S/C29H30FN3O/c30-26-9-2-1-7-25(26)18-32-14-3-4-15-33-27(19-32)29(28(33)20-34)23-12-10-22(11-13-23)24-8-5-6-21(16-24)17-31/h1-2,5-13,16,27-29,34H,3-4,14-15,18-20H2/t27-,28+,29+/m0/s1

inchikey

  • VQSQQTWXMLMOML-ZGIBFIJWSA-N

mass

  • 455.567

monoisotopicmass

  • 455.23729

smiles

  • C1CCN2[C@@H](CN(C1)CC3=CC=CC=C3F)[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:129938

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