EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:45225 - (6R)-6-({[1-(3-hydroxypropyl)-1,7-dihydroquinolin-7-yl]oxy}methyl)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)piperazin-2-one
| Formula | C34H41N3O6 |
| Net Charge | 0 |
| Average Mass | 587.717 |
| Monoisotopic Mass | 587.29954 |
| SMILES | [H]OC([H])([H])C([H])([H])C([H])([H])N1C([H])=C([H])C([H])=C2C([H])=C([H])C(OC([H])([H])[C@]3([H])N(c4c([H])c([H])c(OC([H])([H])C([H])([H])C([H])([H])OC([H])([H])c5c([H])c([H])c([H])c([H])c5OC([H])([H])[H])c([H])c4[H])C(=O)C([H])([H])N([H])C3([H])[H])=C([H])[C@]21[H] |
| InChI | InChI=1S/C34H41N3O6/c1-40-33-9-3-2-7-27(33)24-41-19-6-20-42-30-14-11-28(12-15-30)37-29(22-35-23-34(37)39)25-43-31-13-10-26-8-4-16-36(17-5-18-38)32(26)21-31/h2-4,7-16,21,29,32,35,38H,5-6,17-20,22-25H2,1H3/t29-,32-/m1/s1 |
| InChIKey | BSWXEYZBVSQHOV-QLWXXVCSSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (6R)-6-({[1-(3-hydroxypropyl)-1,7-dihydroquinolin-7-yl]oxy}methyl)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)piperazin-2-one (CHEBI:45225) is a N-arylpiperazine (CHEBI:46848) |
| (6R)-6-({[1-(3-hydroxypropyl)-1,7-dihydroquinolin-7-yl]oxy}methyl)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)piperazin-2-one (CHEBI:45225) is a organic heterobicyclic compound (CHEBI:27171) |
| (6R)-6-({[1-(3-hydroxypropyl)-1,7-dihydroquinolin-7-yl]oxy}methyl)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)piperazin-2-one (CHEBI:45225) is a piperazinone (CHEBI:46846) |
| Synonyms | Source |
|---|---|
| (6R)-6-({[1-(3-hydroxypropyl)-1,7-dihydroquinolin-7-yl]oxy}methyl)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)piperazin-2-one | PDBeChem |
| (6R)-6-({[(8aR)-1-(3-hydroxypropyl)-1,8a-dihydroquinolin-7-yl]oxy}methyl)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)piperazin-2-one | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| PZ1 | PDBeChem |