2-[[4-(1-adamantylcarbonyl)piperazin-1-yl]methyl]-5-[(2-chlorophenyl)methoxy]pyran-4-one

Systemtic Name: 2-[[4-(1-adamantylcarbonyl)piperazin-1-yl]methyl]-5-[(2-chlorophenyl)methoxy]pyran-4-one Openeye Name: 2-[[4-(adamantane-1-carbonyl)piperazin-1-yl]methyl]-5-[(2-chlorophenyl)methoxy]pyran-4-one CAS Name: 2-[[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]methyl]-5-[(2-chlorophenyl)methoxy]-4-pyranone IUPAC Name: 2-[[4-(adamantane-1-carbonyl)piperazin-1-yl]methyl]-5-[(2-chlorophenyl)methoxy]pyran-4-one Traditional Name: 2-[[4-(adamantane-1-carbonyl)piperazino]methyl]-5-(2-chlorobenzyl)oxy-pyran-4-one Formula: C28H33ClN2O4 MolecularWeight: 497.02562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=O)C(=CO2)OCC3=CC=CC=C3Cl)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1CC2=CC(=O)C(=CO2)OCC3=CC=CC=C3Cl)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H33ClN2O4/c29-24-4-2-1-3-22(24)17-35-26-18-34-23(12-25(26)32)16-30-5-7-31(8-6-30)27(33)28-13-19-9-20(14-28)11-21(10-19)15-28/h1-4,12,18-21H,5-11,13-17H2