EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H18ClN3O3 |
| Net Charge | 0 |
| Average Mass | 383.835 |
| Monoisotopic Mass | 383.10367 |
| SMILES | O=C(COc1ccc(Cl)cc1)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 |
| InChI | InChI=1S/C20H18ClN3O3/c21-16-7-9-17(10-8-16)26-12-18(25)22-20-24-23-19(27-20)15-6-5-13-3-1-2-4-14(13)11-15/h5-11H,1-4,12H2,(H,22,24,25) |
| InChIKey | PGVSYUVTYNTVPH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(4-chlorophenoxy)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide (CHEBI:121857) is a tetralins (CHEBI:36786) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33300 | LINCS |