5-[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl-2-(phenylmethyl)isoindole-1,3-dione

Systemtic Name: 5-[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl-2-(phenylmethyl)isoindole-1,3-dione Openeye Name: 2-benzyl-5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 5-[[4-(2-methoxyphenyl)-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)isoindole-1,3-dione IUPAC Name: 2-benzyl-5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-benzyl-5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O4/c1-34-24-10-6-5-9-23(24)28-13-15-29(16-14-28)25(31)20-11-12-21-22(17-20)27(33)30(26(21)32)18-19-7-3-2-4-8-19/h2-12,17H,13-16,18H2,1H3