2-(3-bromanyl-1-adamantyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]ethanamide

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]ethanamide Openeye Name: 2-(3-bromo-1-adamantyl)-N-[2-[4-(m-tolyl)piperazin-1-yl]ethyl]acetamide CAS Name: 2-(3-bromo-1-adamantyl)-N-[2-[4-(3-methylphenyl)-1-piperazinyl]ethyl]acetamide IUPAC Name: 2-(3-bromo-1-adamantyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide Traditional Name: 2-(3-bromo-1-adamantyl)-N-[2-[4-(m-tolyl)piperazino]ethyl]acetamide Formula: C25H36BrN3O MolecularWeight: 474.47684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36BrN3O/c1-19-3-2-4-22(11-19)29-9-7-28(8-10-29)6-5-27-23(30)17-24-13-20-12-21(14-24)16-25(26,15-20)18-24/h2-4,11,20-21H,5-10,12-18H2,1H3,(H,27,30)