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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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