EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H18N2O |
| Net Charge | 0 |
| Average Mass | 302.377 |
| Monoisotopic Mass | 302.14191 |
| SMILES | CCCCC#Cc1ccc2c(c1)COc1c3ccccc3nn1-2 |
| InChI | InChI=1S/C20H18N2O/c1-2-3-4-5-8-15-11-12-19-16(13-15)14-23-20-17-9-6-7-10-18(17)21-22(19)20/h6-7,9-13H,2-4,14H2,1H3 |
| InChIKey | PMRYXVLUXDPVDQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-hex-1-ynyl-5H-indazolo[2,3-a][3,1]benzoxazine (CHEBI:113085) is a indazoles (CHEBI:38769) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24495 | LINCS |