2-[4-[(1-adamantylamino)methyl]-2-bromanyl-6-methoxy-phenoxy]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[(1-adamantylamino)methyl]-2-bromanyl-6-methoxy-phenoxy]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[(1-adamantylamino)methyl]-2-bromo-6-methoxy-phenoxy]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[(1-adamantylamino)methyl]-2-bromo-6-methoxyphenoxy]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[(1-adamantylamino)methyl]-2-bromo-6-methoxyphenoxy]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[(1-adamantylamino)methyl]-2-bromo-6-methoxy-phenoxy]-1-piperidino-ethanone Formula: C25H35BrN2O3 MolecularWeight: 491.461

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC23CC4CC(C2)CC(C4)C3)Br)OCC(=O)N5CCCCC5

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC23CC4CC(C2)CC(C4)C3)Br)OCC(=O)N5CCCCC5

InChI

InChI=1S/C25H35BrN2O3/c1-30-22-11-20(15-27-25-12-17-7-18(13-25)9-19(8-17)14-25)10-21(26)24(22)31-16-23(29)28-5-3-2-4-6-28/h10-11,17-19,27H,2-9,12-16H2,1H3