EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H23N3O |
| Net Charge | 0 |
| Average Mass | 333.435 |
| Monoisotopic Mass | 333.18411 |
| SMILES | O=C(N1CCCCCC1)n1c(Cc2ccccc2)nc2ccccc21 |
| InChI | InChI=1S/C21H23N3O/c25-21(23-14-8-1-2-9-15-23)24-19-13-7-6-12-18(19)22-20(24)16-17-10-4-3-5-11-17/h3-7,10-13H,1-2,8-9,14-16H2 |
| InChIKey | VJWIPWNYNSKZMP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-azepanyl-[2-(phenylmethyl)-1-benzimidazolyl]methanone (CHEBI:116623) is a benzimidazoles (CHEBI:22715) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28078 | LINCS |