EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H30N4O2 |
| Net Charge | 0 |
| Average Mass | 418.541 |
| Monoisotopic Mass | 418.23688 |
| SMILES | COc1ccc(N2CCN(c3ccc(NC(=O)C4CCCCC4)cc3C#N)CC2)cc1 |
| InChI | InChI=1S/C25H30N4O2/c1-31-23-10-8-22(9-11-23)28-13-15-29(16-14-28)24-12-7-21(17-20(24)18-26)27-25(30)19-5-3-2-4-6-19/h7-12,17,19H,2-6,13-16H2,1H3,(H,27,30) |
| InChIKey | CXVYOXRNBIRROT-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[3-cyano-4-[4-(4-methoxyphenyl)-1-piperazinyl]phenyl]cyclohexanecarboxamide (CHEBI:120517) is a piperazines (CHEBI:26144) |
| Manual Xrefs | Databases |
|---|---|
| LSM-31960 | LINCS |