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

Systemtic Name: 2-[(5R,7R)-3-bromanyl-1-adamantyl]-1-(4-ethanoylpiperazin-1-yl)ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[(5R,7R)-3-bromo-1-adamantyl]ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[(5R,7R)-3-bromo-1-adamantyl]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[(5R,7R)-3-bromo-1-adamantyl]ethanone Traditional Name: 1-(4-acetylpiperazino)-2-[(5R,7R)-3-bromo-1-adamantyl]ethanone Formula: C18H27BrN2O2 MolecularWeight: 383.32318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CC23C[C@H]4C[C@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C18H27BrN2O2/c1-13(22)20-2-4-21(5-3-20)16(23)11-17-7-14-6-15(8-17)10-18(19,9-14)12-17/h14-15H,2-12H2,1H3/t14-,15-,17?,18?/m1/s1