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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(3-methoxyphenyl)-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one Traditional Name: 3-(3-methoxyphenyl)-1-(4-piperonylpiperazino)propan-1-one Formula: C22H26N2O4 MolecularWeight: 382.45284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC(=C1)CCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H26N2O4/c1-26-19-4-2-3-17(13-19)6-8-22(25)24-11-9-23(10-12-24)15-18-5-7-20-21(14-18)28-16-27-20/h2-5,7,13-14H,6,8-12,15-16H2,1H3