2-(3-bromanyl-1-adamantyl)-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-(3-bromo-1-adamantyl)-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-(3-bromo-1-adamantyl)-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-(3-bromo-1-adamantyl)-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-(3-bromo-1-adamantyl)-1-(4-phenylpiperazino)ethanone Formula: C22H29BrN2O MolecularWeight: 417.38246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CC34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C22H29BrN2O/c23-22-13-17-10-18(14-22)12-21(11-17,16-22)15-20(26)25-8-6-24(7-9-25)19-4-2-1-3-5-19/h1-5,17-18H,6-16H2