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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-[oxo(pyridin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile

Preferred term

4-[4-[(1s,5r)-3-[oxo(pyridin-4-yl)methyl]-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

  • C24H20N4O

inchi

  • InChI=1S/C24H20N4O/c25-13-16-1-3-17(4-2-16)18-5-7-19(8-6-18)23-21-14-28(15-22(23)27-21)24(29)20-9-11-26-12-10-20/h1-12,21-23,27H,14-15H2/t21-,22+,23?

inchikey

  • GBKBADZVBSALHV-AIZNXBIQSA-N

mass

  • 380.443

monoisotopicmass

  • 380.16371

smiles

  • C1[C@@H]2C([C@@H](N2)CN1C(=O)C3=CC=NC=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:125094

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