N-[1-(1-adamantyl)ethyl]-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanamide Openeye Name: N-[1-(1-adamantyl)ethyl]-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetamide CAS Name: N-[1-(1-adamantyl)ethyl]-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]acetamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetamide Traditional Name: N-[1-(1-adamantyl)ethyl]-2-(4-piperonylpiperazino)acetamide Formula: C26H37N3O3 MolecularWeight: 439.59028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CN4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CN4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H37N3O3/c1-18(26-12-20-8-21(13-26)10-22(9-20)14-26)27-25(30)16-29-6-4-28(5-7-29)15-19-2-3-23-24(11-19)32-17-31-23/h2-3,11,18,20-22H,4-10,12-17H2,1H3,(H,27,30)