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

Preferred term

4-[4-[(1s,5r)-3-(4-fluorophenyl)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

  • C24H20FN3O2S

inchi

  • InChI=1S/C24H20FN3O2S/c25-20-9-11-21(12-10-20)31(29,30)28-14-22-24(23(15-28)27-22)19-7-5-18(6-8-19)17-3-1-16(13-26)2-4-17/h1-12,22-24,27H,14-15H2/t22-,23+,24?

inchikey

  • CHBWTJVJUXMSDX-VSGJHWFKSA-N

mass

  • 433.500

monoisotopicmass

  • 433.12603

smiles

  • C1[C@@H]2C([C@@H](N2)CN1S(=O)(=O)C3=CC=C(C=C3)F)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:125017

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