1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-bromanyl-2,3,5-trimethyl-phenoxy)ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-bromanyl-2,3,5-trimethyl-phenoxy)ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-bromo-2,3,5-trimethyl-phenoxy)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(4-bromo-2,3,5-trimethylphenoxy)ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-bromo-2,3,5-trimethylphenoxy)ethanone Traditional Name: 2-(4-bromo-2,3,5-trimethyl-phenoxy)-1-(4-piperonylpiperazino)ethanone Formula: C23H27BrN2O4 MolecularWeight: 475.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1Br)C)C)OCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(C(=C1Br)C)C)OCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H27BrN2O4/c1-15-10-20(16(2)17(3)23(15)24)28-13-22(27)26-8-6-25(7-9-26)12-18-4-5-19-21(11-18)30-14-29-19/h4-5,10-11H,6-9,12-14H2,1-3H3