EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H20N4O |
| Net Charge | 0 |
| Average Mass | 332.407 |
| Monoisotopic Mass | 332.16371 |
| SMILES | O=C(c1ccc(C=Cc2nnc3ccccc23)cc1)N1CCNCC1 |
| InChI | InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23) |
| InChIKey | YYLKKYCXAOBSRM-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [4-[2-(1H-indazol-3-yl)ethenyl]phenyl]-(1-piperazinyl)methanone (CHEBI:91441) is a indazoles (CHEBI:38769) |
| Manual Xrefs | Databases |
|---|---|
| LSM-1193 | LINCS |