1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]hexan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]hexan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]hexan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-hexanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]hexan-1-one Traditional Name: 1-(4-piperonylpiperazino)hexan-1-one Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H26N2O3/c1-2-3-4-5-18(21)20-10-8-19(9-11-20)13-15-6-7-16-17(12-15)23-14-22-16/h6-7,12H,2-5,8-11,13-14H2,1H3