1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-ethyl-hexan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-ethyl-hexan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-ethyl-hexan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-ethyl-1-hexanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-ethylhexan-1-one Traditional Name: 2-ethyl-1-(4-piperonylpiperazino)hexan-1-one Formula: C20H30N2O3 MolecularWeight: 346.4638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCC(CC)C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H30N2O3/c1-3-5-6-17(4-2)20(23)22-11-9-21(10-12-22)14-16-7-8-18-19(13-16)25-15-24-18/h7-8,13,17H,3-6,9-12,14-15H2,1-2H3