2-(3-bromanyl-1-adamantyl)-1-[4-(phenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(3-bromo-1-adamantyl)ethanone CAS Name: 2-(3-bromo-1-adamantyl)-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(3-bromo-1-adamantyl)ethanone Traditional Name: 1-(4-benzylpiperazino)-2-(3-bromo-1-adamantyl)ethanone Formula: C23H31BrN2O MolecularWeight: 431.40904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CC34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C23H31BrN2O/c24-23-13-19-10-20(14-23)12-22(11-19,17-23)15-21(27)26-8-6-25(7-9-26)16-18-4-2-1-3-5-18/h1-5,19-20H,6-17H2