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

Systemtic Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-nitro-3-oxidanyl-3-phenyl-isoindol-1-one Openeye Name: 3-hydroxy-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-nitro-3-phenyl-isoindolin-1-one CAS Name: 3-hydroxy-2-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-6-nitro-3-phenyl-1-isoindolone IUPAC Name: 3-hydroxy-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-nitro-3-phenylisoindol-1-one Traditional Name: 3-hydroxy-2-[2-[4-(2-methoxyphenyl)piperazino]ethyl]-6-nitro-3-phenyl-isoindolin-1-one Formula: C27H28N4O5 MolecularWeight: 488.53502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)C4=C(C3(C5=CC=CC=C5)O)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)C4=C(C3(C5=CC=CC=C5)O)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H28N4O5/c1-36-25-10-6-5-9-24(25)29-16-13-28(14-17-29)15-18-30-26(32)22-19-21(31(34)35)11-12-23(22)27(30,33)20-7-3-2-4-8-20/h2-12,19,33H,13-18H2,1H3