1-[3-[3-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]ethanone

Systemtic Name: 1-[3-[3-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[3-[3-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-hydroxy-propoxy]phenyl]ethanone CAS Name: 1-[3-[3-[4-(3,4-dimethoxyphenyl)-1-piperazinyl]-2-hydroxypropoxy]phenyl]ethanone IUPAC Name: 1-[3-[3-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone Traditional Name: 1-[3-[3-[4-(3,4-dimethoxyphenyl)piperazino]-2-hydroxy-propoxy]phenyl]ethanone Formula: C23H30N2O5 MolecularWeight: 414.4947

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OCC(CN2CCN(CC2)C3=CC(=C(C=C3)OC)OC)O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OCC(CN2CCN(CC2)C3=CC(=C(C=C3)OC)OC)O

InChI

InChI=1S/C23H30N2O5/c1-17(26)18-5-4-6-21(13-18)30-16-20(27)15-24-9-11-25(12-10-24)19-7-8-22(28-2)23(14-19)29-3/h4-8,13-14,20,27H,9-12,15-16H2,1-3H3