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

Systemtic Name: 6-iodanyl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-3H-isoindol-1-one Openeye Name: 6-iodanyl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-isoindolin-1-one CAS Name: 6-iodanyl-2-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-3-phenyl-3H-isoindol-1-one IUPAC Name: 6-iodanyl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-3H-isoindol-1-one Traditional Name: 6-iodanyl-2-[2-[4-(2-methoxyphenyl)piperazino]ethyl]-3-phenyl-isoindolin-1-one Formula: C27H28IN3O2 MolecularWeight: 551.434744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCN3C(C4=C(C3=O)C=C(C=C4)I)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCN3C(C4=C(C3=O)C=C(C=C4)[125I])C5=CC=CC=C5

InChI

InChI=1S/C27H28IN3O2/c1-33-25-10-6-5-9-24(25)30-16-13-29(14-17-30)15-18-31-26(20-7-3-2-4-8-20)22-12-11-21(28)19-23(22)27(31)32/h2-12,19,26H,13-18H2,1H3/i28-2