1-[4-(1-adamantyl)phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol dihydrochloride

Systemtic Name: 1-[4-(1-adamantyl)phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol dihydrochloride Openeye Name: 1-[4-(1-adamantyl)phenoxy]-3-[4-(2-pyridyl)piperazin-1-yl]propan-2-ol dihydrochloride CAS Name: 1-[4-(1-adamantyl)phenoxy]-3-[4-(2-pyridinyl)-1-piperazinyl]-2-propanol dihydrochloride IUPAC Name: 1-[4-(1-adamantyl)phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol dihydrochloride Traditional Name: 1-[4-(1-adamantyl)phenoxy]-3-[4-(2-pyridyl)piperazino]propan-2-ol dihydrochloride Formula: C28H39Cl2N3O2 MolecularWeight: 520.53416

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O)C6=CC=CC=N6.Cl.Cl

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O)C6=CC=CC=N6.Cl.Cl

InChI

InChI=1S/C28H37N3O2.2ClH/c32-25(19-30-9-11-31(12-10-30)27-3-1-2-8-29-27)20-33-26-6-4-24(5-7-26)28-16-21-13-22(17-28)15-23(14-21)18-28;;/h1-8,21-23,25,32H,9-20H2;2*1H