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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-bromanyl-2,5-dimethyl-phenoxy)ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-bromo-2,5-dimethyl-phenoxy)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(4-bromo-2,5-dimethylphenoxy)ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-bromo-2,5-dimethylphenoxy)ethanone Traditional Name: 2-(4-bromo-2,5-dimethyl-phenoxy)-1-(4-piperonylpiperazino)ethanone Formula: C22H25BrN2O4 MolecularWeight: 461.3489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN2O4/c1-15-10-20(16(2)9-18(15)23)27-13-22(26)25-7-5-24(6-8-25)12-17-3-4-19-21(11-17)29-14-28-19/h3-4,9-11H,5-8,12-14H2,1-2H3