2-[[4-(1-adamantylcarbonyl)piperazin-1-yl]methyl]-5-[(3,5-dimethylphenyl)methoxy]pyran-4-one

Systemtic Name: 2-[[4-(1-adamantylcarbonyl)piperazin-1-yl]methyl]-5-[(3,5-dimethylphenyl)methoxy]pyran-4-one Openeye Name: 2-[[4-(adamantane-1-carbonyl)piperazin-1-yl]methyl]-5-[(3,5-dimethylphenyl)methoxy]pyran-4-one CAS Name: 2-[[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]methyl]-5-[(3,5-dimethylphenyl)methoxy]-4-pyranone IUPAC Name: 2-[[4-(adamantane-1-carbonyl)piperazin-1-yl]methyl]-5-[(3,5-dimethylphenyl)methoxy]pyran-4-one Traditional Name: 2-[[4-(adamantane-1-carbonyl)piperazino]methyl]-5-(3,5-dimethylbenzyl)oxy-pyran-4-one Formula: C30H38N2O4 MolecularWeight: 490.63372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC2=COC(=CC2=O)CN3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC2=COC(=CC2=O)CN3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5)C

InChI

InChI=1S/C30H38N2O4/c1-20-7-21(2)9-25(8-20)18-36-28-19-35-26(13-27(28)33)17-31-3-5-32(6-4-31)29(34)30-14-22-10-23(15-30)12-24(11-22)16-30/h7-9,13,19,22-24H,3-6,10-12,14-18H2,1-2H3