EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H17N3O |
| Net Charge | 0 |
| Average Mass | 255.321 |
| Monoisotopic Mass | 255.13716 |
| SMILES | O=C(c1cccc2cnccc12)N1CCCNCC1 |
| InChI | InChI=1S/C15H17N3O/c19-15(18-9-2-6-16-8-10-18)14-4-1-3-12-11-17-7-5-13(12)14/h1,3-5,7,11,16H,2,6,8-10H2 |
| InChIKey | UBZQRRLIMHAJAE-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1,4-diazepan-1-yl(5-isoquinolinyl)methanone (CHEBI:117897) is a isoquinolines (CHEBI:24922) |
| Manual Xrefs | Databases |
|---|---|
| LSM-29346 | LINCS |