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

Preferred term

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

  • C18H17N3

inchi

  • InChI=1S/C18H17N3/c19-9-12-2-1-3-15(8-12)13-4-6-14(7-5-13)18-16-10-20-11-17(18)21-16/h1-8,16-18,20-21H,10-11H2/t16-,17+,18?

inchikey

  • XGQYEUDSRUYSTH-JWTNVVGKSA-N

mass

  • 275.348

monoisotopicmass

  • 275.14225

smiles

  • C1[C@@H]2C([C@@H](N2)CN1)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:125110

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