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

Systemtic Name: 2-[[3-[4-(4-methylphenyl)carbonylpiperazin-1-yl]carbonylphenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[3-[4-(4-methylbenzoyl)piperazine-1-carbonyl]phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[3-[[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-[4-(4-methylbenzoyl)piperazine-1-carbonyl]phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[3-(4-p-toluoylpiperazine-1-carbonyl)benzyl]isoindoline-1,3-quinone Formula: C28H25N3O4 MolecularWeight: 467.5158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C28H25N3O4/c1-19-9-11-21(12-10-19)25(32)29-13-15-30(16-14-29)26(33)22-6-4-5-20(17-22)18-31-27(34)23-7-2-3-8-24(23)28(31)35/h2-12,17H,13-16,18H2,1H3