EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H28N4O3 |
| Net Charge | 0 |
| Average Mass | 372.469 |
| Monoisotopic Mass | 372.21614 |
| SMILES | COc1ccccc1N1CCN(CCN2C(=O)C3CCCCN3C2=O)CC1 |
| InChI | InChI=1S/C20H28N4O3/c1-27-18-8-3-2-6-16(18)22-13-10-21(11-14-22)12-15-24-19(25)17-7-4-5-9-23(17)20(24)26/h2-3,6,8,17H,4-5,7,9-15H2,1H3 |
| InChIKey | YIBAHIUJRKGNMN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (CHEBI:107628) is a piperazines (CHEBI:26144) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18984 | LINCS |