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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)-7-[4-(3-cyanophenyl)phenyl]-n-[4-(trifluoromethyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide

Preferred term

(1s,5r)-7-[4-(3-cyanophenyl)phenyl]-n-[4-(trifluoromethyl)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

  • C26H21F3N4O

inchi

  • InChI=1S/C26H21F3N4O/c27-26(28,29)20-8-10-21(11-9-20)31-25(34)33-14-22-24(23(15-33)32-22)18-6-4-17(5-7-18)19-3-1-2-16(12-19)13-30/h1-12,22-24,32H,14-15H2,(H,31,34)/t22-,23+,24?

inchikey

  • ZTPNIZXKMRRHNE-VSGJHWFKSA-N

mass

  • 462.467

monoisotopicmass

  • 462.16675

smiles

  • C1[C@@H]2C([C@@H](N2)CN1C(=O)NC3=CC=C(C=C3)C(F)(F)F)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:125025

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