EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H23N3O4 |
| Net Charge | 0 |
| Average Mass | 381.432 |
| Monoisotopic Mass | 381.16886 |
| SMILES | COc1ccc(CCNC(=O)C2=CC(=C3C=C(C)C=CC3=O)NN2)cc1OC |
| InChI | InChI=1S/C21H23N3O4/c1-13-4-6-18(25)15(10-13)16-12-17(24-23-16)21(26)22-9-8-14-5-7-19(27-2)20(11-14)28-3/h4-7,10-12,23-24H,8-9H2,1-3H3,(H,22,26) |
| InChIKey | INYNUTJZGJJBLS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazole-3-carboxamide (CHEBI:121624) has functional parent α-amino acid (CHEBI:33704) |
| N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazole-3-carboxamide (CHEBI:121624) is a organonitrogen compound (CHEBI:35352) |
| N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazole-3-carboxamide (CHEBI:121624) is a organooxygen compound (CHEBI:36963) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33067 | LINCS |