5-[4-(4-methoxyphenyl)piperazin-1-yl]-6-nitro-2-phenyl-isoindole-1,3-dione

Systemtic Name: 5-[4-(4-methoxyphenyl)piperazin-1-yl]-6-nitro-2-phenyl-isoindole-1,3-dione Openeye Name: 5-[4-(4-methoxyphenyl)piperazin-1-yl]-6-nitro-2-phenyl-isoindoline-1,3-dione CAS Name: 5-[4-(4-methoxyphenyl)-1-piperazinyl]-6-nitro-2-phenylisoindole-1,3-dione IUPAC Name: 5-[4-(4-methoxyphenyl)piperazin-1-yl]-6-nitro-2-phenylisoindole-1,3-dione Traditional Name: 5-[4-(4-methoxyphenyl)piperazino]-6-nitro-2-phenyl-isoindoline-1,3-quinone Formula: C25H22N4O5 MolecularWeight: 458.46598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C4C(=C3)C(=O)N(C4=O)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C4C(=C3)C(=O)N(C4=O)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O5/c1-34-19-9-7-17(8-10-19)26-11-13-27(14-12-26)22-15-20-21(16-23(22)29(32)33)25(31)28(24(20)30)18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3