2-[[2-[2-(3-oxidanylidene-2-phenyl-piperazin-1-yl)ethanoyl]phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[2-[2-(3-oxidanylidene-2-phenyl-piperazin-1-yl)ethanoyl]phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-[2-(3-oxo-2-phenyl-piperazin-1-yl)acetyl]phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-[1-oxo-2-(3-oxo-2-phenyl-1-piperazinyl)ethyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-[2-(3-oxo-2-phenylpiperazin-1-yl)acetyl]phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[2-[2-(3-keto-2-phenyl-piperazino)acetyl]benzyl]isoindoline-1,3-quinone Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(C(C(=O)N1)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3CN4C(=O)C5=CC=CC=C5C4=O

InChI

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