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

Systemtic Name: 5-[4-(phenylcarbonyl)piperazin-1-yl]carbonyl-2-(phenylmethyl)isoindole-1,3-dione Openeye Name: 5-(4-benzoylpiperazine-1-carbonyl)-2-benzyl-isoindoline-1,3-dione CAS Name: 5-[(4-benzoyl-1-piperazinyl)-oxomethyl]-2-(phenylmethyl)isoindole-1,3-dione IUPAC Name: 5-(4-benzoylpiperazine-1-carbonyl)-2-benzylisoindole-1,3-dione Traditional Name: 5-(4-benzoylpiperazine-1-carbonyl)-2-benzyl-isoindoline-1,3-quinone Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5

InChI

InChI=1S/C27H23N3O4/c31-24(20-9-5-2-6-10-20)28-13-15-29(16-14-28)25(32)21-11-12-22-23(17-21)27(34)30(26(22)33)18-19-7-3-1-4-8-19/h1-12,17H,13-16,18H2