skip to main content

Chemistry, part 2

Content language

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

Concept information

organooxygen compound > ether > aromatic ether > 1-azepanyl-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-isoxazolyl]methanone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > aromatic ether > 1-azepanyl-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-isoxazolyl]methanone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > 1-azepanyl-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-isoxazolyl]methanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > 1-azepanyl-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-isoxazolyl]methanone

Preferred term

1-azepanyl-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-isoxazolyl]methanone  

Type

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

Broader concept

charge

  • 0

formula

  • C19H23ClN2O3

inchi

  • InChI=1S/C19H23ClN2O3/c1-13-9-15(10-14(2)18(13)20)24-12-16-11-17(21-25-16)19(23)22-7-5-3-4-6-8-22/h9-11H,3-8,12H2,1-2H3

inchikey

  • XBOLVMCYOWDKMP-UHFFFAOYSA-N

mass

  • 362.851

monoisotopicmass

  • 362.13972

smiles

  • CC1=CC(=CC(=C1Cl)C)OCC2=CC(=NO2)C(=O)N3CCCCCC3

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:116954

Download this concept:

RDF/XML TURTLE JSON-LD