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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 > (8r,9r,10r)-9-[4-(3-cyanophenyl)phenyl]-n-(3-fluorophenyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide

Preferred term

(8r,9r,10r)-9-[4-(3-cyanophenyl)phenyl]-n-(3-fluorophenyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide  

Type

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

Broader concept

charge

  • 0

formula

  • C29H29FN4O2

inchi

  • InChI=1S/C29H29FN4O2/c30-24-7-4-8-25(16-24)32-29(36)33-13-1-2-14-34-26(18-33)28(27(34)19-35)22-11-9-21(10-12-22)23-6-3-5-20(15-23)17-31/h3-12,15-16,26-28,35H,1-2,13-14,18-19H2,(H,32,36)/t26-,27-,28+/m0/s1

inchikey

  • CBPIBJRMLNNXRJ-HZFUHODCSA-N

mass

  • 484.566

monoisotopicmass

  • 484.22745

smiles

  • C1CCN2[C@@H](CN(C1)C(=O)NC3=CC(=CC=C3)F)[C@H]([C@@H]2CO)C4=CC=C(C=C4)C5=CC=CC(=C5)C#N

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:129667

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