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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3-methoxyphenoxy)propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3-methoxyphenoxy)propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(3-methoxyphenoxy)-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3-methoxyphenoxy)propan-1-one Traditional Name: 2-(3-methoxyphenoxy)-1-(4-piperonylpiperazino)propan-1-one Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)OC4=CC=CC(=C4)OC

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)OC4=CC=CC(=C4)OC

InChI

InChI=1S/C22H26N2O5/c1-16(29-19-5-3-4-18(13-19)26-2)22(25)24-10-8-23(9-11-24)14-17-6-7-20-21(12-17)28-15-27-20/h3-7,12-13,16H,8-11,14-15H2,1-2H3