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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3,4-dimethylphenoxy)butan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3,4-dimethylphenoxy)butan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(3,4-dimethylphenoxy)-1-butanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3,4-dimethylphenoxy)butan-1-one Traditional Name: 2-(3,4-dimethylphenoxy)-1-(4-piperonylpiperazino)butan-1-one Formula: C24H30N2O4 MolecularWeight: 410.506

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)OC4=CC(=C(C=C4)C)C

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)OC4=CC(=C(C=C4)C)C

InChI

InChI=1S/C24H30N2O4/c1-4-21(30-20-7-5-17(2)18(3)13-20)24(27)26-11-9-25(10-12-26)15-19-6-8-22-23(14-19)29-16-28-22/h5-8,13-14,21H,4,9-12,15-16H2,1-3H3