5-[4-(2-methylpropanoyl)piperazin-1-yl]carbonyl-2-(phenylmethyl)isoindole-1,3-dione

Systemtic Name: 5-[4-(2-methylpropanoyl)piperazin-1-yl]carbonyl-2-(phenylmethyl)isoindole-1,3-dione Openeye Name: 2-benzyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 5-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)isoindole-1,3-dione IUPAC Name: 2-benzyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-benzyl-5-(4-isobutyrylpiperazine-1-carbonyl)isoindoline-1,3-quinone Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O4/c1-16(2)21(28)25-10-12-26(13-11-25)22(29)18-8-9-19-20(14-18)24(31)27(23(19)30)15-17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3