EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C20H21N5O3 |
| Net Charge | 0 |
| Average Mass | 379.420 |
| Monoisotopic Mass | 379.16444 |
| SMILES | COc1ccc(-c2cc(C3CCN(c4ncccc4[N+](=O)[O-])CC3)nn2)cc1 |
| InChI | InChI=1S/C20H21N5O3/c1-28-16-6-4-14(5-7-16)17-13-18(23-22-17)15-8-11-24(12-9-15)20-19(25(26)27)3-2-10-21-20/h2-7,10,13,15H,8-9,11-12H2,1H3,(H,22,23) |
| InChIKey | RXYLMVYPPGECAL-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-3-nitropyridine (CHEBI:121944) is a pyrazoles (CHEBI:26410) |
| 2-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-3-nitropyridine (CHEBI:121944) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33387 | LINCS |