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

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-(3-bromo-1-adamantyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-(3-bromo-1-adamantyl)-1-[4-(4-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3-bromo-1-adamantyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-(3-bromo-1-adamantyl)-1-[4-(4-methoxyphenyl)piperazino]ethanone Formula: C23H31BrN2O2 MolecularWeight: 447.40844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C23H31BrN2O2/c1-28-20-4-2-19(3-5-20)25-6-8-26(9-7-25)21(27)15-22-11-17-10-18(12-22)14-23(24,13-17)16-22/h2-5,17-18H,6-16H2,1H3