2-[[4-(4-ethanoylphenyl)piperazin-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-(4-ethanoylphenyl)piperazin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(4-acetylphenyl)-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(4-acetylphenyl)piperazino]methyl]isoindoline-1,3-quinone Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H21N3O3/c1-15(25)16-6-8-17(9-7-16)23-12-10-22(11-13-23)14-24-20(26)18-4-2-3-5-19(18)21(24)27/h2-9H,10-14H2,1H3