2-(1-adamantyl)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(1-adamantyl)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-(1-adamantyl)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanone CAS Name: 2-(1-adamantyl)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-adamantyl)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-(1-adamantyl)-1-(4-piperonylpiperazino)ethanone Formula: C24H32N2O3 MolecularWeight: 396.52248

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C24H32N2O3/c27-23(14-24-11-18-7-19(12-24)9-20(8-18)13-24)26-5-3-25(4-6-26)15-17-1-2-21-22(10-17)29-16-28-21/h1-2,10,18-20H,3-9,11-16H2