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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2,5-dimethylphenoxy)propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2,5-dimethylphenoxy)propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(2,5-dimethylphenoxy)-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2,5-dimethylphenoxy)propan-1-one Traditional Name: 3-(2,5-dimethylphenoxy)-1-(4-piperonylpiperazino)propan-1-one Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H28N2O4/c1-17-3-4-18(2)21(13-17)27-12-7-23(26)25-10-8-24(9-11-25)15-19-5-6-20-22(14-19)29-16-28-20/h3-6,13-14H,7-12,15-16H2,1-2H3