1-(3,5-dimethylphenoxy)-3-[4-(phenylmethyl)piperazin-1-yl]propan-2-ol

Systemtic Name: 1-(3,5-dimethylphenoxy)-3-[4-(phenylmethyl)piperazin-1-yl]propan-2-ol Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol CAS Name: 1-(3,5-dimethylphenoxy)-3-[4-(phenylmethyl)-1-piperazinyl]-2-propanol IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol Traditional Name: 1-(4-benzylpiperazino)-3-(3,5-dimethylphenoxy)propan-2-ol Formula: C22H30N2O2 MolecularWeight: 354.4858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(CN2CCN(CC2)CC3=CC=CC=C3)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(CN2CCN(CC2)CC3=CC=CC=C3)O)C

InChI

InChI=1S/C22H30N2O2/c1-18-12-19(2)14-22(13-18)26-17-21(25)16-24-10-8-23(9-11-24)15-20-6-4-3-5-7-20/h3-7,12-14,21,25H,8-11,15-17H2,1-2H3