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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > phthalazines > 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-2-ethyl-1-phthalazinone

Preferred term

4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-2-ethyl-1-phthalazinone  

Type

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

Broader concept

charge

  • 0

formula

  • C23H24N4O4

inchi

  • InChI=1S/C23H24N4O4/c1-2-27-22(28)18-6-4-3-5-17(18)21(24-27)23(29)26-11-9-25(10-12-26)14-16-7-8-19-20(13-16)31-15-30-19/h3-8,13H,2,9-12,14-15H2,1H3

inchikey

  • VLFYYHLLIZTFSW-UHFFFAOYSA-N

mass

  • 420.462

monoisotopicmass

  • 420.17976

smiles

  • CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:105085

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