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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-chloranylphenoxy)propan-2-ol Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-chlorophenoxy)propan-2-ol CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(4-chlorophenoxy)-2-propanol IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-chlorophenoxy)propan-2-ol Traditional Name: 1-(4-chlorophenoxy)-3-(4-piperonylpiperazino)propan-2-ol Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(COC4=CC=C(C=C4)Cl)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(COC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C21H25ClN2O4/c22-17-2-4-19(5-3-17)26-14-18(25)13-24-9-7-23(8-10-24)12-16-1-6-20-21(11-16)28-15-27-20/h1-6,11,18,25H,7-10,12-15H2