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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-[(2r,3r)-6-acetyl-2-(hydroxymethyl)-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-3-yl]phenyl]benzonitrile

Preferred term

3-[4-[(2r,3r)-6-acetyl-2-(hydroxymethyl)-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-3-yl]phenyl]benzonitrile  

Type

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

Broader concept

charge

  • 0

formula

  • C24H24F3N3O2

inchi

  • InChI=1S/C24H24F3N3O2/c1-16(32)29-14-23(15-29)22(21(13-31)30(23)10-9-24(25,26)27)19-7-5-18(6-8-19)20-4-2-3-17(11-20)12-28/h2-8,11,21-22,31H,9-10,13-15H2,1H3/t21-,22+/m0/s1

inchikey

  • QZFUSVJIMZSOPS-FCHUYYIVSA-N

mass

  • 443.462

monoisotopicmass

  • 443.18206

smiles

  • CC(=O)N1CC2(C1)[C@@H]([C@@H](N2CCC(F)(F)F)CO)C3=CC=C(C=C3)C4=CC=CC(=C4)C#N

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:126163

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