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

Systemtic Name: 2-(1-adamantyl)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-(1-adamantyl)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]ethanone CAS Name: 2-(1-adamantyl)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-adamantyl)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-(1-adamantyl)-1-[4-(coumaran-5-ylmethyl)piperazino]ethanone Formula: C25H34N2O2 MolecularWeight: 394.54966

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H34N2O2/c28-24(16-25-13-19-9-20(14-25)11-21(10-19)15-25)27-6-4-26(5-7-27)17-18-1-2-23-22(12-18)3-8-29-23/h1-2,12,19-21H,3-11,13-17H2