3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-chloranyl-1-(2-iodanylphenyl)pyrrole-2,5-dione

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-chloranyl-1-(2-iodanylphenyl)pyrrole-2,5-dione Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-chloro-1-(2-iodophenyl)pyrrole-2,5-dione CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-chloro-1-(2-iodophenyl)pyrrole-2,5-dione IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-chloro-1-(2-iodophenyl)pyrrole-2,5-dione Traditional Name: 3-chloro-1-(2-iodophenyl)-4-(4-piperonylpiperazino)-3-pyrroline-2,5-quinone Formula: C22H19ClIN3O4 MolecularWeight: 551.76143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=O)N(C4=O)C5=CC=CC=C5I)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=O)N(C4=O)C5=CC=CC=C5I)Cl

InChI

InChI=1S/C22H19ClIN3O4/c23-19-20(22(29)27(21(19)28)16-4-2-1-3-15(16)24)26-9-7-25(8-10-26)12-14-5-6-17-18(11-14)31-13-30-17/h1-6,11H,7-10,12-13H2