EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C21H20ClN3O3 |
| Net Charge | 0 |
| Average Mass | 397.862 |
| Monoisotopic Mass | 397.11932 |
| SMILES | COCCCN1C(=O)C2=C(C(=C3C=CC=CC3=O)NN2)C1c1cccc(Cl)c1 |
| InChI | InChI=1S/C21H20ClN3O3/c1-28-11-5-10-25-20(13-6-4-7-14(22)12-13)17-18(23-24-19(17)21(25)27)15-8-2-3-9-16(15)26/h2-4,6-9,12,20,23-24H,5,10-11H2,1H3 |
| InChIKey | SHGLTAPOKJRZBN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-(3-chlorophenyl)-5-(3-methoxypropyl)-3-(6-oxo-1-cyclohexa-2,4-dienylidene)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one (CHEBI:108957) is a pyrroline (CHEBI:23763) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20355 | LINCS |