2-[[3-(2-oxidanylidene-4-phenacyl-piperazin-1-yl)phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[3-(2-oxidanylidene-4-phenacyl-piperazin-1-yl)phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[3-(2-oxo-4-phenacyl-piperazin-1-yl)phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[3-(2-oxo-4-phenacyl-1-piperazinyl)phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-(2-oxo-4-phenacylpiperazin-1-yl)phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[3-(2-keto-4-phenacyl-piperazino)benzyl]isoindoline-1,3-quinone Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1CC(=O)C2=CC=CC=C2)C3=CC=CC(=C3)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(C(=O)CN1CC(=O)C2=CC=CC=C2)C3=CC=CC(=C3)CN4C(=O)C5=CC=CC=C5C4=O

InChI

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