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

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ChEBI Name 2-[2-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]-1-piperazinyl]ethyl]benzo[de]isoquinoline-1,3-dione
ChEBI ID CHEBI:105428
Stars This entity has been manually annotated by a third party.
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Formula C28H31N3O4
Net Charge 0
Average Mass 473.564
Monoisotopic Mass 473.23146
InChI InChI=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
InChIKey BCSQWBDVLIHPCQ-UHFFFAOYSA-N
SMILES CC1=CC=CC=C1OCC(CN2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O
ChEBI Ontology
Outgoing 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 Xref Database
LSM-16791 LINCS
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