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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 > (1s,5r)-n-(1,3-benzodioxol-5-yl)-7-[4-(4-cyanophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide

Preferred term

(1s,5r)-n-(1,3-benzodioxol-5-yl)-7-[4-(4-cyanophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide  

Type

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

Broader concept

charge

  • 0

formula

  • C26H22N4O3

inchi

  • InChI=1S/C26H22N4O3/c27-12-16-1-3-17(4-2-16)18-5-7-19(8-6-18)25-21-13-30(14-22(25)29-21)26(31)28-20-9-10-23-24(11-20)33-15-32-23/h1-11,21-22,25,29H,13-15H2,(H,28,31)/t21-,22+,25?

inchikey

  • BIEAKEAKNXDGCH-OFFJZUQKSA-N

mass

  • 438.479

monoisotopicmass

  • 438.16919

smiles

  • C1[C@@H]2C([C@@H](N2)CN1C(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)C6=CC=C(C=C6)C#N

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:125113

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