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

Systemtic Name: 5-[1-adamantylmethyl(methyl)amino]-1-[(4-fluorophenyl)methyl]azepan-2-one Openeye Name: 5-[1-adamantylmethyl(methyl)amino]-1-[(4-fluorophenyl)methyl]azepan-2-one CAS Name: 5-[1-adamantylmethyl(methyl)amino]-1-[(4-fluorophenyl)methyl]-2-azepanone IUPAC Name: 5-[1-adamantylmethyl(methyl)amino]-1-[(4-fluorophenyl)methyl]azepan-2-one Traditional Name: 5-[1-adamantylmethyl(methyl)amino]-1-(4-fluorobenzyl)azepan-2-one Formula: C25H35FN2O MolecularWeight: 398.556603

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C25H35FN2O/c1-27(17-25-13-19-10-20(14-25)12-21(11-19)15-25)23-6-7-24(29)28(9-8-23)16-18-2-4-22(26)5-3-18/h2-5,19-21,23H,6-17H2,1H3