2-(3-bromanyl-1-adamantyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]ethanamide

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]ethanamide Openeye Name: 2-(3-bromo-1-adamantyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]acetamide CAS Name: 2-(3-bromo-1-adamantyl)-N-[4-(4-ethyl-1-piperazinyl)-2-methylphenyl]acetamide IUPAC Name: 2-(3-bromo-1-adamantyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide Traditional Name: 2-(3-bromo-1-adamantyl)-N-[4-(4-ethylpiperazino)-2-methyl-phenyl]acetamide Formula: C25H36BrN3O MolecularWeight: 474.47684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br)C

InChI

InChI=1S/C25H36BrN3O/c1-3-28-6-8-29(9-7-28)21-4-5-22(18(2)10-21)27-23(30)16-24-12-19-11-20(13-24)15-25(26,14-19)17-24/h4-5,10,19-20H,3,6-9,11-17H2,1-2H3,(H,27,30)