2-[(5R,7R)-3-bromanyl-1-adamantyl]-1-(4-methylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(5R,7R)-3-bromanyl-1-adamantyl]-1-(4-methylpiperazin-1-yl)ethanone Openeye Name: 2-[(5R,7R)-3-bromo-1-adamantyl]-1-(4-methylpiperazin-1-yl)ethanone CAS Name: 2-[(5R,7R)-3-bromo-1-adamantyl]-1-(4-methyl-1-piperazinyl)ethanone IUPAC Name: 2-[(5R,7R)-3-bromo-1-adamantyl]-1-(4-methylpiperazin-1-yl)ethanone Traditional Name: 2-[(5R,7R)-3-bromo-1-adamantyl]-1-(4-methylpiperazino)ethanone Formula: C17H27BrN2O MolecularWeight: 355.31308

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CN1CCN(CC1)C(=O)CC23C[C@H]4C[C@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C17H27BrN2O/c1-19-2-4-20(5-3-19)15(21)11-16-7-13-6-14(8-16)10-17(18,9-13)12-16/h13-14H,2-12H2,1H3/t13-,14-,16?,17?/m1/s1