2-(3-bromanyl-1-adamantyl)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-(3-bromo-1-adamantyl)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone CAS Name: 2-(3-bromo-1-adamantyl)-1-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(3-bromo-1-adamantyl)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone Traditional Name: 2-(3-bromo-1-adamantyl)-1-[4-(2,5-dimethoxybenzyl)piperazino]ethanone Formula: C25H35BrN2O3 MolecularWeight: 491.461

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C25H35BrN2O3/c1-30-21-3-4-22(31-2)20(10-21)16-27-5-7-28(8-6-27)23(29)15-24-11-18-9-19(12-24)14-25(26,13-18)17-24/h3-4,10,18-19H,5-9,11-17H2,1-2H3