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

Systemtic Name: 3-chloranyl-1-(2-iodanylphenyl)-4-[4-(phenylmethyl)piperazin-1-yl]pyrrole-2,5-dione Openeye Name: 3-(4-benzylpiperazin-1-yl)-4-chloro-1-(2-iodophenyl)pyrrole-2,5-dione CAS Name: 3-chloro-1-(2-iodophenyl)-4-[4-(phenylmethyl)-1-piperazinyl]pyrrole-2,5-dione IUPAC Name: 3-(4-benzylpiperazin-1-yl)-4-chloro-1-(2-iodophenyl)pyrrole-2,5-dione Traditional Name: 3-(4-benzylpiperazino)-4-chloro-1-(2-iodophenyl)-3-pyrroline-2,5-quinone Formula: C21H19ClIN3O2 MolecularWeight: 507.75193

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4=CC=CC=C4I)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4=CC=CC=C4I)Cl

InChI

InChI=1S/C21H19ClIN3O2/c22-18-19(21(28)26(20(18)27)17-9-5-4-8-16(17)23)25-12-10-24(11-13-25)14-15-6-2-1-3-7-15/h1-9H,10-14H2