5-[2-(1-adamantyl)ethyl-methyl-amino]-1-[(3-methoxyphenyl)methyl]azepan-2-one

Systemtic Name: 5-[2-(1-adamantyl)ethyl-methyl-amino]-1-[(3-methoxyphenyl)methyl]azepan-2-one Openeye Name: 5-[2-(1-adamantyl)ethyl-methyl-amino]-1-[(3-methoxyphenyl)methyl]azepan-2-one CAS Name: 5-[2-(1-adamantyl)ethyl-methylamino]-1-[(3-methoxyphenyl)methyl]-2-azepanone IUPAC Name: 5-[2-(1-adamantyl)ethyl-methylamino]-1-[(3-methoxyphenyl)methyl]azepan-2-one Traditional Name: 5-[2-(1-adamantyl)ethyl-methyl-amino]-1-m-anisyl-azepan-2-one Formula: C27H40N2O2 MolecularWeight: 424.6187

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC12CC3CC(C1)CC(C3)C2)C4CCC(=O)N(CC4)CC5=CC(=CC=C5)OC

Isomeric SMILES

CN(CCC12CC3CC(C1)CC(C3)C2)C4CCC(=O)N(CC4)CC5=CC(=CC=C5)OC

InChI

InChI=1S/C27H40N2O2/c1-28(11-9-27-16-21-12-22(17-27)14-23(13-21)18-27)24-6-7-26(30)29(10-8-24)19-20-4-3-5-25(15-20)31-2/h3-5,15,21-24H,6-14,16-19H2,1-2H3