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Chemistry, part 1

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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 > 4-[4-[(1s,5r)-3-(phenylmethyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile

Preferred term

4-[4-[(1s,5r)-3-(phenylmethyl)sulfonyl-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

  • C25H23N3O2S

inchi

  • InChI=1S/C25H23N3O2S/c26-14-18-6-8-20(9-7-18)21-10-12-22(13-11-21)25-23-15-28(16-24(25)27-23)31(29,30)17-19-4-2-1-3-5-19/h1-13,23-25,27H,15-17H2/t23-,24+,25?

inchikey

  • KSFOFYANOVBZJR-XMGLRAKGSA-N

mass

  • 429.536

monoisotopicmass

  • 429.15110

smiles

  • C1[C@@H]2C([C@@H](N2)CN1S(=O)(=O)CC3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)C#N

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:125088

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