3-chloranyl-1-(4-iodanyl-2-methyl-phenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione

Systemtic Name: 3-chloranyl-1-(4-iodanyl-2-methyl-phenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Openeye Name: 3-chloro-1-(4-iodo-2-methyl-phenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione CAS Name: 3-chloro-1-(4-iodo-2-methylphenyl)-4-(4-phenyl-1-piperazinyl)pyrrole-2,5-dione IUPAC Name: 3-chloro-1-(4-iodo-2-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Traditional Name: 3-chloro-1-(4-iodo-2-methyl-phenyl)-4-(4-phenylpiperazino)-3-pyrroline-2,5-quinone Formula: C21H19ClIN3O2 MolecularWeight: 507.75193

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)N2C(=O)C(=C(C2=O)Cl)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)I)N2C(=O)C(=C(C2=O)Cl)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H19ClIN3O2/c1-14-13-15(23)7-8-17(14)26-20(27)18(22)19(21(26)28)25-11-9-24(10-12-25)16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3