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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-phenylphenoxy)ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-phenylphenoxy)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(2-phenylphenoxy)ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-phenylphenoxy)ethanone Traditional Name: 2-(2-phenylphenoxy)-1-(4-piperonylpiperazino)ethanone Formula: C26H26N2O4 MolecularWeight: 430.49564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC4=CC=CC=C4C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC4=CC=CC=C4C5=CC=CC=C5

InChI

InChI=1S/C26H26N2O4/c29-26(18-30-23-9-5-4-8-22(23)21-6-2-1-3-7-21)28-14-12-27(13-15-28)17-20-10-11-24-25(16-20)32-19-31-24/h1-11,16H,12-15,17-19H2