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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-bromophenyl)-2-methyl-propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-bromophenyl)-2-methyl-propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(4-bromophenyl)-2-methyl-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-bromophenyl)-2-methylpropan-1-one Traditional Name: 2-(4-bromophenyl)-2-methyl-1-(4-piperonylpiperazino)propan-1-one Formula: C22H25BrN2O3 MolecularWeight: 445.3495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN2O3/c1-22(2,17-4-6-18(23)7-5-17)21(26)25-11-9-24(10-12-25)14-16-3-8-19-20(13-16)28-15-27-19/h3-8,13H,9-12,14-15H2,1-2H3