2-[[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[3-[(4-acetyl-1-piperazinyl)-oxomethyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[3-(4-acetylpiperazine-1-carbonyl)benzyl]isoindoline-1,3-quinone Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H21N3O4/c1-15(26)23-9-11-24(12-10-23)20(27)17-6-4-5-16(13-17)14-25-21(28)18-7-2-3-8-19(18)22(25)29/h2-8,13H,9-12,14H2,1H3