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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]octan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]octan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-octanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]octan-1-one Traditional Name: 1-(4-piperonylpiperazino)octan-1-one Formula: C20H30N2O3 MolecularWeight: 346.4638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O3/c1-2-3-4-5-6-7-20(23)22-12-10-21(11-13-22)15-17-8-9-18-19(14-17)25-16-24-18/h8-9,14H,2-7,10-13,15-16H2,1H3