2-[[4-methoxy-3-[4-(phenylcarbonyl)piperazin-1-yl]carbonyl-phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-methoxy-3-[4-(phenylcarbonyl)piperazin-1-yl]carbonyl-phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[3-(4-benzoylpiperazine-1-carbonyl)-4-methoxy-phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[3-[(4-benzoyl-1-piperazinyl)-oxomethyl]-4-methoxyphenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-(4-benzoylpiperazine-1-carbonyl)-4-methoxyphenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[3-(4-benzoylpiperazine-1-carbonyl)-4-methoxy-benzyl]isoindoline-1,3-quinone Formula: C28H25N3O5 MolecularWeight: 483.5152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H25N3O5/c1-36-24-12-11-19(18-31-27(34)21-9-5-6-10-22(21)28(31)35)17-23(24)26(33)30-15-13-29(14-16-30)25(32)20-7-3-2-4-8-20/h2-12,17H,13-16,18H2,1H3