EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C18H21N3O3 |
| Net Charge | 0 |
| Average Mass | 327.384 |
| Monoisotopic Mass | 327.15829 |
| SMILES | COc1ccc(-c2nc(C#N)c(N3CCCCCC3)o2)cc1OC |
| InChI | InChI=1S/C18H21N3O3/c1-22-15-8-7-13(11-16(15)23-2)17-20-14(12-19)18(24-17)21-9-5-3-4-6-10-21/h7-8,11H,3-6,9-10H2,1-2H3 |
| InChIKey | ZKMSQFNCYCQUPB-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-(1-azepanyl)-2-(3,4-dimethoxyphenyl)-4-oxazolecarbonitrile (CHEBI:104926) is a 1,3-oxazoles (CHEBI:46812) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16289 | LINCS |