EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:105418 - 6-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-2-[3-(trifluoromethyl)phenyl]benzo[de]isoquinoline-1,3-dione
| Formula | C31H24F3N3O3 |
| Net Charge | 0 |
| Average Mass | 543.545 |
| Monoisotopic Mass | 543.17698 |
| SMILES | O=C(c1ccc2c3c(cccc13)C(=O)N(c1cccc(C(F)(F)F)c1)C2=O)N1CCN(Cc2ccccc2)CC1 |
| InChI | InChI=1S/C31H24F3N3O3/c32-31(33,34)21-8-4-9-22(18-21)37-29(39)25-11-5-10-23-24(12-13-26(27(23)25)30(37)40)28(38)36-16-14-35(15-17-36)19-20-6-2-1-3-7-20/h1-13,18H,14-17,19H2 |
| InChIKey | WLFBEAMGIJRBPQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-2-[3-(trifluoromethyl)phenyl]benzo[de]isoquinoline-1,3-dione (CHEBI:105418) is a naphthalenecarboxamide (CHEBI:48739) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16781 | LINCS |