EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H22N4O4 |
| Net Charge | 0 |
| Average Mass | 382.420 |
| Monoisotopic Mass | 382.16411 |
| SMILES | CCOC(=O)c1cc(C#N)c(N2CCN(c3ccc(OC)cc3)CC2)nc1=O |
| InChI | InChI=1S/C20H22N4O4/c1-3-28-20(26)17-12-14(13-21)18(22-19(17)25)24-10-8-23(9-11-24)15-4-6-16(27-2)7-5-15/h4-7,12H,3,8-11H2,1-2H3,(H,22,25) |
| InChIKey | CLELQUUCWLPTPN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-cyano-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxo-1H-pyridine-3-carboxylic acid ethyl ester (CHEBI:111397) is a piperazines (CHEBI:26144) |
| 5-cyano-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxo-1H-pyridine-3-carboxylic acid ethyl ester (CHEBI:111397) is a pyridines (CHEBI:26421) |
| Manual Xrefs | Databases |
|---|---|
| LSM-22853 | LINCS |