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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > quinolines > 6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]quinoline
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > quinolines > 6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]quinoline
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > quinolines > 6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]quinoline
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > quinolines > 6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]quinoline

Preferred term

6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]quinoline  

Type

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

Broader concept

charge

  • 0

formula

  • C28H33N7O2

inchi

  • InChI=1S/C28H33N7O2/c1-4-28(2,3)35-27(30-31-32-35)26(22-8-9-23-21(17-22)6-5-11-29-23)34-14-12-33(13-15-34)18-20-7-10-24-25(16-20)37-19-36-24/h5-11,16-17,26H,4,12-15,18-19H2,1-3H3

inchikey

  • SXGVPWBSDOQTOM-UHFFFAOYSA-N

mass

  • 499.608

monoisotopicmass

  • 499.26957

smiles

  • CCC(C)(C)N1C(=NN=N1)C(C2=CC3=C(C=C2)N=CC=C3)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:105147

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