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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-(1-oxo-2-phenylethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile

Preferred term

4-[4-[(1s,5r)-3-(1-oxo-2-phenylethyl)-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

  • C26H23N3O

inchi

  • InChI=1S/C26H23N3O/c27-15-19-6-8-20(9-7-19)21-10-12-22(13-11-21)26-23-16-29(17-24(26)28-23)25(30)14-18-4-2-1-3-5-18/h1-13,23-24,26,28H,14,16-17H2/t23-,24+,26?

inchikey

  • QYMIRNCPMKEYAE-MAOIWGCQSA-N

mass

  • 393.481

monoisotopicmass

  • 393.18411

smiles

  • C1[C@@H]2C([C@@H](N2)CN1C(=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:125052

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