EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:105428 - 2-[2-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]-1-piperazinyl]ethyl]benzo[de]isoquinoline-1,3-dione

ChEBI IDCHEBI:105428
ChEBI Name2-[2-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]-1-piperazinyl]ethyl]benzo[de]isoquinoline-1,3-dione
Stars
DownloadsMolfile
FormulaC28H31N3O4
Net Charge0
Average Mass473.573
Monoisotopic Mass473.23146
SMILESCc1ccccc1OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1
InChIInChI=1S/C28H31N3O4/c1-20-6-2-3-11-25(20)35-19-22(32)18-30-14-12-29(13-15-30)16-17-31-27(33)23-9-4-7-21-8-5-10-24(26(21)23)28(31)34/h2-11,22,32H,12-19H2,1H3
InChIKeyBCSQWBDVLIHPCQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[2-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]-1-piperazinyl]ethyl]benzo[de]isoquinoline-1,3-dione (CHEBI:105428) is a isoquinolines (CHEBI:24922)
Manual XrefsDatabases
LSM-16791LINCS