EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C21H22BrNO2 |
| Net Charge | 0 |
| Average Mass | 400.316 |
| Monoisotopic Mass | 399.08339 |
| SMILES | [H]/C(=C(/[H])C([H])([H])N(C([H])([H])[H])C1([H])C([H])([H])C1([H])[H])C([H])([H])Oc1c([H])c([H])c(C(=O)c2c([H])c([H])c(Br)c([H])c2[H])c([H])c1[H] |
| InChI | InChI=1S/C21H22BrNO2/c1-23(19-10-11-19)14-2-3-15-25-20-12-6-17(7-13-20)21(24)16-4-8-18(22)9-5-16/h2-9,12-13,19H,10-11,14-15H2,1H3/b3-2+ |
| InChIKey | JAZMZJDLZUDIDG-NSCUHMNNSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT-2-ENYL}OXY)PHENYL]METHANONE (CHEBI:47648) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| (4-bromophenyl)[4-({(2E)-4-[cyclopropyl(methyl)amino]but-2-en-1-yl}oxy)phenyl]methanone | PDBeChem |
| (4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT-2-ENYL}OXY)PHENYL]METHANONE | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| R88 | PDBeChem |