5-[4-(1-adamantyl)piperazin-1-yl]-1-[(3-methoxyphenyl)methyl]azepan-2-one

Systemtic Name: 5-[4-(1-adamantyl)piperazin-1-yl]-1-[(3-methoxyphenyl)methyl]azepan-2-one Openeye Name: 5-[4-(1-adamantyl)piperazin-1-yl]-1-[(3-methoxyphenyl)methyl]azepan-2-one CAS Name: 5-[4-(1-adamantyl)-1-piperazinyl]-1-[(3-methoxyphenyl)methyl]-2-azepanone IUPAC Name: 5-[4-(1-adamantyl)piperazin-1-yl]-1-[(3-methoxyphenyl)methyl]azepan-2-one Traditional Name: 5-[4-(1-adamantyl)piperazino]-1-m-anisyl-azepan-2-one Formula: C28H41N3O2 MolecularWeight: 451.64404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCC(CCC2=O)N3CCN(CC3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCC(CCC2=O)N3CCN(CC3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H41N3O2/c1-33-26-4-2-3-21(16-26)20-30-8-7-25(5-6-27(30)32)29-9-11-31(12-10-29)28-17-22-13-23(18-28)15-24(14-22)19-28/h2-4,16,22-25H,5-15,17-20H2,1H3