2-[2-[4-[(4-iodanylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[4-[(4-iodanylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-[(4-iodanylphenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-[(4-iodanylphenyl)methyl]-1-piperazinyl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-[(4-iodanylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-(4-iodanylbenzyl)piperazino]-2-keto-ethyl]isoindoline-1,3-quinone Formula: C21H20IN3O3 MolecularWeight: 485.307398

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)I)C(=O)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)[123I])C(=O)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H20IN3O3/c22-16-7-5-15(6-8-16)13-23-9-11-24(12-10-23)19(26)14-25-20(27)17-3-1-2-4-18(17)21(25)28/h1-8H,9-14H2/i22-4