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

Systemtic Name: 5-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-2-(phenylmethyl)isoindole-1,3-dione Openeye Name: 2-benzyl-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 5-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)isoindole-1,3-dione IUPAC Name: 2-benzyl-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-benzyl-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C26H22N4O5 MolecularWeight: 470.47668

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5

InChI

InChI=1S/C26H22N4O5/c31-24(28-14-12-27(13-15-28)20-7-9-21(10-8-20)30(34)35)19-6-11-22-23(16-19)26(33)29(25(22)32)17-18-4-2-1-3-5-18/h1-11,16H,12-15,17H2