skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

organobromine compound > bci-215
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > secondary amino compound > bci-215
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > secondary amino compound > bci-215
organooxygen compound > carbonyl compound > ketone > aromatic ketone > bci-215
... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > indanones > bci-215

Preferred term

bci-215  

Type

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

Broader concept

charge

  • 0

formula

  • C22H22BrNO

has_role

inchi

  • InChI=1S/C22H22BrNO/c23-16-11-12-18-19(14-16)21(24-17-9-5-2-6-10-17)20(22(18)25)13-15-7-3-1-4-8-15/h1,3-4,7-8,11-14,17,21,24H,2,5-6,9-10H2/b20-13+

inchikey

  • JGWQWVVSCQBAFC-DEDYPNTBSA-N

mass

  • 396.328

monoisotopicmass

  • 395.08848

smiles

  • O=C1/C(/C(NC2CCCCC2)C=3C1=CC=C(C3)Br)=C/C=4C=CC=CC4

subset

  • 3_STAR

synonym EXACT

  • (2E)-2-benzylidene-5-bromo-3-(cyclohexylamino)-2,3-dihydro-1H-inden-1-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:143128

Download this concept:

RDF/XML TURTLE JSON-LD