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

Systemtic Name: 5-[1-adamantylmethyl(methyl)amino]-1-[2-(4-fluoranylphenoxy)ethyl]azepan-2-one Openeye Name: 5-[1-adamantylmethyl(methyl)amino]-1-[2-(4-fluorophenoxy)ethyl]azepan-2-one CAS Name: 5-[1-adamantylmethyl(methyl)amino]-1-[2-(4-fluorophenoxy)ethyl]-2-azepanone IUPAC Name: 5-[1-adamantylmethyl(methyl)amino]-1-[2-(4-fluorophenoxy)ethyl]azepan-2-one Traditional Name: 5-[1-adamantylmethyl(methyl)amino]-1-[2-(4-fluorophenoxy)ethyl]azepan-2-one Formula: C26H37FN2O2 MolecularWeight: 428.582583

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC12CC3CC(C1)CC(C3)C2)C4CCC(=O)N(CC4)CCOC5=CC=C(C=C5)F

Isomeric SMILES

CN(CC12CC3CC(C1)CC(C3)C2)C4CCC(=O)N(CC4)CCOC5=CC=C(C=C5)F

InChI

InChI=1S/C26H37FN2O2/c1-28(18-26-15-19-12-20(16-26)14-21(13-19)17-26)23-4-7-25(30)29(9-8-23)10-11-31-24-5-2-22(27)3-6-24/h2-3,5-6,19-21,23H,4,7-18H2,1H3