5-[1-adamantylmethyl(methyl)amino]-1-[(4-methoxyphenyl)methyl]azepan-2-one

Systemtic Name: 5-[1-adamantylmethyl(methyl)amino]-1-[(4-methoxyphenyl)methyl]azepan-2-one Openeye Name: 5-[1-adamantylmethyl(methyl)amino]-1-[(4-methoxyphenyl)methyl]azepan-2-one CAS Name: 5-[1-adamantylmethyl(methyl)amino]-1-[(4-methoxyphenyl)methyl]-2-azepanone IUPAC Name: 5-[1-adamantylmethyl(methyl)amino]-1-[(4-methoxyphenyl)methyl]azepan-2-one Traditional Name: 5-[1-adamantylmethyl(methyl)amino]-1-p-anisyl-azepan-2-one Formula: C26H38N2O2 MolecularWeight: 410.59212

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC12CC3CC(C1)CC(C3)C2)C4CCC(=O)N(CC4)CC5=CC=C(C=C5)OC

Isomeric SMILES

CN(CC12CC3CC(C1)CC(C3)C2)C4CCC(=O)N(CC4)CC5=CC=C(C=C5)OC

InChI

InChI=1S/C26H38N2O2/c1-27(18-26-14-20-11-21(15-26)13-22(12-20)16-26)23-5-8-25(29)28(10-9-23)17-19-3-6-24(30-2)7-4-19/h3-4,6-7,20-23H,5,8-18H2,1-2H3