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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-[(3,5-dimethoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile

Preferred term

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

  • C27H27N3O2

inchi

  • InChI=1S/C27H27N3O2/c1-31-23-11-19(12-24(13-23)32-2)15-30-16-25-27(26(17-30)29-25)22-9-7-21(8-10-22)20-5-3-18(14-28)4-6-20/h3-13,25-27,29H,15-17H2,1-2H3/t25-,26+,27?

inchikey

  • YFMKCBSNBMZWEO-ZVBBVAIHSA-N

mass

  • 425.523

monoisotopicmass

  • 425.21033

smiles

  • COC1=CC(=CC(=C1)CN2C[C@@H]3C([C@H](C2)N3)C4=CC=C(C=C4)C5=CC=C(C=C5)C#N)OC

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:125085

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