1-[2-(1-adamantyl)ethoxy]-3-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]propan-2-ol

Systemtic Name: 1-[2-(1-adamantyl)ethoxy]-3-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]propan-2-ol Openeye Name: 1-[2-(1-adamantyl)ethoxy]-3-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]propan-2-ol CAS Name: 1-[2-(1-adamantyl)ethoxy]-3-[4-(1,3-benzodioxol-5-yl)-1-piperazinyl]-2-propanol IUPAC Name: 1-[2-(1-adamantyl)ethoxy]-3-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]propan-2-ol Traditional Name: 1-[2-(1-adamantyl)ethoxy]-3-[4-(1,3-benzodioxol-5-yl)piperazino]propan-2-ol Formula: C26H38N2O4 MolecularWeight: 442.59092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COCCC23CC4CC(C2)CC(C4)C3)O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCN1CC(COCCC23CC4CC(C2)CC(C4)C3)O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H38N2O4/c29-23(17-30-8-3-26-13-19-9-20(14-26)11-21(10-19)15-26)16-27-4-6-28(7-5-27)22-1-2-24-25(12-22)32-18-31-24/h1-2,12,19-21,23,29H,3-11,13-18H2