2-(3-bromanyl-1-adamantyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-(3-bromo-1-adamantyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-(3-bromo-1-adamantyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-(3-bromo-1-adamantyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-(3-bromo-1-adamantyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C23H30BrNO3 MolecularWeight: 448.3932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CC34CC5CC(C3)CC(C5)(C4)Br)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CC34CC5CC(C3)CC(C5)(C4)Br)OC

InChI

InChI=1S/C23H30BrNO3/c1-27-19-6-17-3-4-25(13-18(17)7-20(19)28-2)21(26)12-22-8-15-5-16(9-22)11-23(24,10-15)14-22/h6-7,15-16H,3-5,8-14H2,1-2H3