1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-phenyl-ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-phenyl-ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-phenylethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-phenylethanone Traditional Name: 2-phenyl-1-(4-piperonylpiperazino)ethanone Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H22N2O3/c23-20(13-16-4-2-1-3-5-16)22-10-8-21(9-11-22)14-17-6-7-18-19(12-17)25-15-24-18/h1-7,12H,8-11,13-15H2