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

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone Openeye Name: 2-(3-bromo-1-adamantyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone CAS Name: 2-(3-bromo-1-adamantyl)-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3-bromo-1-adamantyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-(3-bromo-1-adamantyl)-1-[4-(2,3-dimethylphenyl)piperazino]ethanone Formula: C24H33BrN2O MolecularWeight: 445.43562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)(C4)Br)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)(C4)Br)C

InChI

InChI=1S/C24H33BrN2O/c1-17-4-3-5-21(18(17)2)26-6-8-27(9-7-26)22(28)15-23-11-19-10-20(12-23)14-24(25,13-19)16-23/h3-5,19-20H,6-16H2,1-2H3