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

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-1-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-yl]ethanone Openeye Name: 2-(3-bromo-1-adamantyl)-1-[4-(2,4-dimethylbenzoyl)-1-piperidyl]ethanone CAS Name: 2-(3-bromo-1-adamantyl)-1-[4-[(2,4-dimethylphenyl)-oxomethyl]-1-piperidinyl]ethanone IUPAC Name: 2-(3-bromo-1-adamantyl)-1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]ethanone Traditional Name: 2-(3-bromo-1-adamantyl)-1-[4-(2,4-dimethylbenzoyl)piperidino]ethanone Formula: C26H34BrNO2 MolecularWeight: 472.45766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)(C4)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)(C4)Br)C

InChI

InChI=1S/C26H34BrNO2/c1-17-3-4-22(18(2)9-17)24(30)21-5-7-28(8-6-21)23(29)15-25-11-19-10-20(12-25)14-26(27,13-19)16-25/h3-4,9,19-21H,5-8,10-16H2,1-2H3