5-[2-(1-adamantyl)ethoxy]-2-(bromomethyl)-1-(phenylmethyl)pyridin-4-one hydrobromide

Systemtic Name: 5-[2-(1-adamantyl)ethoxy]-2-(bromomethyl)-1-(phenylmethyl)pyridin-4-one hydrobromide Openeye Name: 5-[2-(1-adamantyl)ethoxy]-1-benzyl-2-(bromomethyl)pyridin-4-one hydrobromide CAS Name: 5-[2-(1-adamantyl)ethoxy]-2-(bromomethyl)-1-(phenylmethyl)-4-pyridinone hydrobromide IUPAC Name: 5-[2-(1-adamantyl)ethoxy]-1-benzyl-2-(bromomethyl)pyridin-4-one hydrobromide Traditional Name: 5-[2-(1-adamantyl)ethoxy]-1-benzyl-2-(bromomethyl)-4-pyridone hydrobromide Formula: C25H31Br2NO2 MolecularWeight: 537.32714

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CCOC4=CN(C(=CC4=O)CBr)CC5=CC=CC=C5.Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CCOC4=CN(C(=CC4=O)CBr)CC5=CC=CC=C5.Br

InChI

InChI=1S/C25H30BrNO2.BrH/c26-15-22-11-23(28)24(17-27(22)16-18-4-2-1-3-5-18)29-7-6-25-12-19-8-20(13-25)10-21(9-19)14-25;/h1-5,11,17,19-21H,6-10,12-16H2;1H