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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 > 1-[(2s,3r,4s)-3-[4-(1-cyclohexenyl)phenyl]-2-(hydroxymethyl)-4-[(propan-2-ylamino)methyl]-1-azetidinyl]-2-cyclopropylethanone
... > 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 > benzenoid aromatic compound > benzenes > 1-[(2s,3r,4s)-3-[4-(1-cyclohexenyl)phenyl]-2-(hydroxymethyl)-4-[(propan-2-ylamino)methyl]-1-azetidinyl]-2-cyclopropylethanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > 1-[(2s,3r,4s)-3-[4-(1-cyclohexenyl)phenyl]-2-(hydroxymethyl)-4-[(propan-2-ylamino)methyl]-1-azetidinyl]-2-cyclopropylethanone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > 1-[(2s,3r,4s)-3-[4-(1-cyclohexenyl)phenyl]-2-(hydroxymethyl)-4-[(propan-2-ylamino)methyl]-1-azetidinyl]-2-cyclopropylethanone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > 1-[(2s,3r,4s)-3-[4-(1-cyclohexenyl)phenyl]-2-(hydroxymethyl)-4-[(propan-2-ylamino)methyl]-1-azetidinyl]-2-cyclopropylethanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > 1-[(2s,3r,4s)-3-[4-(1-cyclohexenyl)phenyl]-2-(hydroxymethyl)-4-[(propan-2-ylamino)methyl]-1-azetidinyl]-2-cyclopropylethanone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > azetidines > 1-[(2s,3r,4s)-3-[4-(1-cyclohexenyl)phenyl]-2-(hydroxymethyl)-4-[(propan-2-ylamino)methyl]-1-azetidinyl]-2-cyclopropylethanone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > azetidines > 1-[(2s,3r,4s)-3-[4-(1-cyclohexenyl)phenyl]-2-(hydroxymethyl)-4-[(propan-2-ylamino)methyl]-1-azetidinyl]-2-cyclopropylethanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > azetidines > 1-[(2s,3r,4s)-3-[4-(1-cyclohexenyl)phenyl]-2-(hydroxymethyl)-4-[(propan-2-ylamino)methyl]-1-azetidinyl]-2-cyclopropylethanone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > azetidines > 1-[(2s,3r,4s)-3-[4-(1-cyclohexenyl)phenyl]-2-(hydroxymethyl)-4-[(propan-2-ylamino)methyl]-1-azetidinyl]-2-cyclopropylethanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > azetidines > 1-[(2s,3r,4s)-3-[4-(1-cyclohexenyl)phenyl]-2-(hydroxymethyl)-4-[(propan-2-ylamino)methyl]-1-azetidinyl]-2-cyclopropylethanone

Preferred term

1-[(2s,3r,4s)-3-[4-(1-cyclohexenyl)phenyl]-2-(hydroxymethyl)-4-[(propan-2-ylamino)methyl]-1-azetidinyl]-2-cyclopropylethanone  

Type

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

Broader concept

charge

  • 0

formula

  • C25H36N2O2

inchi

  • InChI=1S/C25H36N2O2/c1-17(2)26-15-22-25(23(16-28)27(22)24(29)14-18-8-9-18)21-12-10-20(11-13-21)19-6-4-3-5-7-19/h6,10-13,17-18,22-23,25-26,28H,3-5,7-9,14-16H2,1-2H3/t22-,23-,25-/m1/s1

inchikey

  • BZNYZFKVAGNWDK-VDKIKQQVSA-N

mass

  • 396.566

monoisotopicmass

  • 396.27768

smiles

  • CC(C)NC[C@@H]1[C@H]([C@H](N1C(=O)CC2CC2)CO)C3=CC=C(C=C3)C4=CCCCC4

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:129934

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