1-[4-(1-adamantylcarbonyl)piperazin-1-yl]-2-(5-ethanoyl-2-methoxy-phenyl)ethanone

Systemtic Name: 1-[4-(1-adamantylcarbonyl)piperazin-1-yl]-2-(5-ethanoyl-2-methoxy-phenyl)ethanone Openeye Name: 2-(5-acetyl-2-methoxy-phenyl)-1-[4-(adamantane-1-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-(5-acetyl-2-methoxyphenyl)-1-[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(5-acetyl-2-methoxyphenyl)-1-[4-(adamantane-1-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-(5-acetyl-2-methoxy-phenyl)-1-[4-(adamantane-1-carbonyl)piperazino]ethanone Formula: C26H34N2O4 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O4/c1-17(29)21-3-4-23(32-2)22(12-21)13-24(30)27-5-7-28(8-6-27)25(31)26-14-18-9-19(15-26)11-20(10-18)16-26/h3-4,12,18-20H,5-11,13-16H2,1-2H3