3-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-1-(4-bromophenyl)pyrrolidine-2,5-dione

Systemtic Name: 3-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-1-(4-bromophenyl)pyrrolidine-2,5-dione Openeye Name: 3-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-1-(4-bromophenyl)pyrrolidine-2,5-dione CAS Name: 3-[4-(1,3-benzodioxol-5-yl)-1-piperazinyl]-1-(4-bromophenyl)pyrrolidine-2,5-dione IUPAC Name: 3-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-1-(4-bromophenyl)pyrrolidine-2,5-dione Traditional Name: 3-[4-(1,3-benzodioxol-5-yl)piperazino]-1-(4-bromophenyl)pyrrolidine-2,5-quinone Formula: C21H20BrN3O4 MolecularWeight: 458.3052

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)Br)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)Br)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H20BrN3O4/c22-14-1-3-15(4-2-14)25-20(26)12-17(21(25)27)24-9-7-23(8-10-24)16-5-6-18-19(11-16)29-13-28-18/h1-6,11,17H,7-10,12-13H2