6-iodanyl-2-[2-[4-(2-methoxy-5-nitro-phenyl)piperazin-1-yl]ethyl]-3-oxidanyl-3-phenyl-isoindol-1-one

Systemtic Name: 6-iodanyl-2-[2-[4-(2-methoxy-5-nitro-phenyl)piperazin-1-yl]ethyl]-3-oxidanyl-3-phenyl-isoindol-1-one Openeye Name: 3-hydroxy-6-iodo-2-[2-[4-(2-methoxy-5-nitro-phenyl)piperazin-1-yl]ethyl]-3-phenyl-isoindolin-1-one CAS Name: 3-hydroxy-6-iodo-2-[2-[4-(2-methoxy-5-nitrophenyl)-1-piperazinyl]ethyl]-3-phenyl-1-isoindolone IUPAC Name: 3-hydroxy-6-iodo-2-[2-[4-(2-methoxy-5-nitrophenyl)piperazin-1-yl]ethyl]-3-phenylisoindol-1-one Traditional Name: 3-hydroxy-6-iodo-2-[2-[4-(2-methoxy-5-nitro-phenyl)piperazino]ethyl]-3-phenyl-isoindolin-1-one Formula: C27H27IN4O5 MolecularWeight: 614.43155

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N2CCN(CC2)CCN3C(=O)C4=C(C3(C5=CC=CC=C5)O)C=CC(=C4)I

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N2CCN(CC2)CCN3C(=O)C4=C(C3(C5=CC=CC=C5)O)C=CC(=C4)I

InChI

InChI=1S/C27H27IN4O5/c1-37-25-10-8-21(32(35)36)18-24(25)30-14-11-29(12-15-30)13-16-31-26(33)22-17-20(28)7-9-23(22)27(31,34)19-5-3-2-4-6-19/h2-10,17-18,34H,11-16H2,1H3