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

Systemtic Name: 2-cyclohexyl-5-[4-(2-methylpropanoyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-cyclohexyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-cyclohexyl-5-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-cyclohexyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-cyclohexyl-5-(4-isobutyrylpiperazine-1-carbonyl)isoindoline-1,3-quinone Formula: C23H29N3O4 MolecularWeight: 411.49406

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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)C4CCCCC4

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4CCCCC4

InChI

InChI=1S/C23H29N3O4/c1-15(2)20(27)24-10-12-25(13-11-24)21(28)16-8-9-18-19(14-16)23(30)26(22(18)29)17-6-4-3-5-7-17/h8-9,14-15,17H,3-7,10-13H2,1-2H3