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

Systemtic Name: 2-butyl-5-[4-(2-methylpropanoyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-butyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-butyl-5-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-butyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-butyl-5-(4-isobutyrylpiperazine-1-carbonyl)isoindoline-1,3-quinone Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C(C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C(C)C

InChI

InChI=1S/C21H27N3O4/c1-4-5-8-24-20(27)16-7-6-15(13-17(16)21(24)28)19(26)23-11-9-22(10-12-23)18(25)14(2)3/h6-7,13-14H,4-5,8-12H2,1-3H3