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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > (2s,3r,4s)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > (2s,3r,4s)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > (2s,3r,4s)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > (2s,3r,4s)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > azetidines > (2s,3r,4s)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile

Preferred term

(2s,3r,4s)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile  

Type

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

Broader concept

charge

  • 0

formula

  • C17H20N2O

inchi

  • InChI=1S/C17H20N2O/c18-10-15-17(16(11-20)19-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h4,6-9,15-17,19-20H,1-3,5,11H2/t15-,16-,17-/m1/s1

inchikey

  • SIGXZWYEWAPHMA-BRWVUGGUSA-N

mass

  • 268.354

monoisotopicmass

  • 268.15756

smiles

  • C1CCC(=CC1)C2=CC=C(C=C2)[C@H]3[C@H](N[C@@H]3C#N)CO

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:102400

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