EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H21N3O3 |
| Net Charge | 0 |
| Average Mass | 351.406 |
| Monoisotopic Mass | 351.15829 |
| SMILES | COc1ccc(-c2cc(CCCC(=O)NCc3ccccn3)no2)cc1 |
| InChI | InChI=1S/C20H21N3O3/c1-25-18-10-8-15(9-11-18)19-13-16(23-26-19)6-4-7-20(24)22-14-17-5-2-3-12-21-17/h2-3,5,8-13H,4,6-7,14H2,1H3,(H,22,24) |
| InChIKey | MWUVTCYCKYJPLA-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[5-(4-methoxyphenyl)-3-isoxazolyl]-N-(2-pyridinylmethyl)butanamide (CHEBI:114446) is a methoxybenzenes (CHEBI:51683) |
| Manual Xrefs | Databases |
|---|---|
| LSM-25907 | LINCS |