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

Systemtic Name: 6-iodanyl-2-[2-[4-(2-methoxy-5-nitro-phenyl)piperazin-1-yl]ethyl]-3-phenyl-3H-isoindol-1-one Openeye Name: 6-iodo-2-[2-[4-(2-methoxy-5-nitro-phenyl)piperazin-1-yl]ethyl]-3-phenyl-isoindolin-1-one CAS Name: 6-iodo-2-[2-[4-(2-methoxy-5-nitrophenyl)-1-piperazinyl]ethyl]-3-phenyl-3H-isoindol-1-one IUPAC Name: 6-iodo-2-[2-[4-(2-methoxy-5-nitrophenyl)piperazin-1-yl]ethyl]-3-phenyl-3H-isoindol-1-one Traditional Name: 6-iodo-2-[2-[4-(2-methoxy-5-nitro-phenyl)piperazino]ethyl]-3-phenyl-isoindolin-1-one Formula: C27H27IN4O4 MolecularWeight: 598.43215

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27IN4O4/c1-36-25-10-8-21(32(34)35)18-24(25)30-14-11-29(12-15-30)13-16-31-26(19-5-3-2-4-6-19)22-9-7-20(28)17-23(22)27(31)33/h2-10,17-18,26H,11-16H2,1H3