N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-2-(3-oxidanyl-1-adamantyl)ethanamide

Systemtic Name: N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-2-(3-oxidanyl-1-adamantyl)ethanamide Openeye Name: 2-(3-hydroxy-1-adamantyl)-N-[3-[4-(m-tolyl)piperazin-1-yl]propyl]acetamide CAS Name: 2-(3-hydroxy-1-adamantyl)-N-[3-[4-(3-methylphenyl)-1-piperazinyl]propyl]acetamide IUPAC Name: 2-(3-hydroxy-1-adamantyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide Traditional Name: 2-(3-hydroxy-1-adamantyl)-N-[3-[4-(m-tolyl)piperazino]propyl]acetamide Formula: C26H39N3O2 MolecularWeight: 425.60676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39N3O2/c1-20-4-2-5-23(12-20)29-10-8-28(9-11-29)7-3-6-27-24(30)18-25-14-21-13-22(15-25)17-26(31,16-21)19-25/h2,4-5,12,21-22,31H,3,6-11,13-19H2,1H3,(H,27,30)