1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(4-bromophenyl)butane-1,4-dione

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(4-bromophenyl)butane-1,4-dione Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(4-bromophenyl)butane-1,4-dione CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-(4-bromophenyl)butane-1,4-dione IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(4-bromophenyl)butane-1,4-dione Traditional Name: 1-(4-bromophenyl)-4-(4-piperonylpiperazino)butane-1,4-dione Formula: C22H23BrN2O4 MolecularWeight: 459.33302

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H23BrN2O4/c23-18-4-2-17(3-5-18)19(26)6-8-22(27)25-11-9-24(10-12-25)14-16-1-7-20-21(13-16)29-15-28-20/h1-5,7,13H,6,8-12,14-15H2