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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Br

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Br

InChI

InChI=1S/C23H27BrN2O4/c1-16(2)18-4-6-20(19(24)12-18)28-14-23(27)26-9-7-25(8-10-26)13-17-3-5-21-22(11-17)30-15-29-21/h3-6,11-12,16H,7-10,13-15H2,1-2H3