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

Systemtic Name: 3-chloranyl-1-(4-iodanyl-2-methyl-phenyl)-4-[4-(phenylmethyl)piperazin-1-yl]pyrrole-2,5-dione Openeye Name: 3-(4-benzylpiperazin-1-yl)-4-chloro-1-(4-iodo-2-methyl-phenyl)pyrrole-2,5-dione CAS Name: 3-chloro-1-(4-iodo-2-methylphenyl)-4-[4-(phenylmethyl)-1-piperazinyl]pyrrole-2,5-dione IUPAC Name: 3-(4-benzylpiperazin-1-yl)-4-chloro-1-(4-iodo-2-methylphenyl)pyrrole-2,5-dione Traditional Name: 3-(4-benzylpiperazino)-4-chloro-1-(4-iodo-2-methyl-phenyl)-3-pyrroline-2,5-quinone Formula: C22H21ClIN3O2 MolecularWeight: 521.77851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)N2C(=O)C(=C(C2=O)Cl)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)I)N2C(=O)C(=C(C2=O)Cl)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H21ClIN3O2/c1-15-13-17(24)7-8-18(15)27-21(28)19(23)20(22(27)29)26-11-9-25(10-12-26)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3