1-[4-(1-adamantylcarbonyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone

Systemtic Name: 1-[4-(1-adamantylcarbonyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone Openeye Name: 1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone CAS Name: 1-[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-2-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone Traditional Name: 1-[4-(adamantane-1-carbonyl)piperazino]-2-(3,4-dimethoxyphenyl)ethanone Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C25H34N2O4/c1-30-21-4-3-17(12-22(21)31-2)13-23(28)26-5-7-27(8-6-26)24(29)25-14-18-9-19(15-25)11-20(10-18)16-25/h3-4,12,18-20H,5-11,13-16H2,1-2H3