EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H23N5O |
| Net Charge | 0 |
| Average Mass | 325.416 |
| Monoisotopic Mass | 325.19026 |
| SMILES | CN(C)c1cccc(-c2nccc(N3CCC(C(N)=O)CC3)n2)c1 |
| InChI | InChI=1S/C18H23N5O/c1-22(2)15-5-3-4-14(12-15)18-20-9-6-16(21-18)23-10-7-13(8-11-23)17(19)24/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H2,19,24) |
| InChIKey | XBQFYTFSCZLPQF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[2-[3-(dimethylamino)phenyl]-4-pyrimidinyl]-4-piperidinecarboxamide (CHEBI:93341) is a piperidinecarboxamide (CHEBI:48592) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3707 | LINCS |