2-[[4-methoxy-3-[4-(2-methylpropanoyl)piperazin-1-yl]carbonyl-phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-methoxy-3-[4-(2-methylpropanoyl)piperazin-1-yl]carbonyl-phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-methoxy-3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-methoxy-3-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-methoxy-3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[3-(4-isobutyrylpiperazine-1-carbonyl)-4-methoxy-benzyl]isoindoline-1,3-quinone Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O5/c1-16(2)22(29)26-10-12-27(13-11-26)23(30)20-14-17(8-9-21(20)33-3)15-28-24(31)18-6-4-5-7-19(18)25(28)32/h4-9,14,16H,10-13,15H2,1-3H3