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

Systemtic Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-methoxyphenoxy)propan-1-one Openeye Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-methoxyphenoxy)propan-1-one CAS Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(4-methoxyphenoxy)-1-propanone IUPAC Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-methoxyphenoxy)propan-1-one Traditional Name: (2R)-2-(4-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=C(C=C4)OC

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)OC4=CC=C(C=C4)OC

InChI

InChI=1S/C22H26N2O5/c1-16(29-19-6-4-18(26-2)5-7-19)22(25)24-11-9-23(10-12-24)14-17-3-8-20-21(13-17)28-15-27-20/h3-8,13,16H,9-12,14-15H2,1-2H3/t16-/m1/s1