2-(3-bromanyl-1-adamantyl)-1-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-1-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-(3-bromo-1-adamantyl)-1-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]ethanone CAS Name: 2-(3-bromo-1-adamantyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(3-bromo-1-adamantyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]ethanone Traditional Name: 2-(3-bromo-1-adamantyl)-1-[4-(3-fluoro-4-methoxy-benzyl)piperazino]ethanone Formula: C24H32BrFN2O2 MolecularWeight: 479.425483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)(C4)Br)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)(C4)Br)F

InChI

InChI=1S/C24H32BrFN2O2/c1-30-21-3-2-17(9-20(21)26)15-27-4-6-28(7-5-27)22(29)14-23-10-18-8-19(11-23)13-24(25,12-18)16-23/h2-3,9,18-19H,4-8,10-16H2,1H3