1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-[(4-chlorophenyl)methoxy]propan-2-ol

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-[(4-chlorophenyl)methoxy]propan-2-ol Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-[(4-chlorophenyl)methoxy]propan-2-ol CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-[(4-chlorophenyl)methoxy]-2-propanol IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-[(4-chlorophenyl)methoxy]propan-2-ol Traditional Name: 1-(4-chlorobenzyl)oxy-3-(4-piperonylpiperazino)propan-2-ol Formula: C22H27ClN2O4 MolecularWeight: 418.91378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(COCC4=CC=C(C=C4)Cl)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(COCC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C22H27ClN2O4/c23-19-4-1-17(2-5-19)14-27-15-20(26)13-25-9-7-24(8-10-25)12-18-3-6-21-22(11-18)29-16-28-21/h1-6,11,20,26H,7-10,12-16H2