ethyl 4-[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(2-butyl-1,3-dioxo-isoindoline-5-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(2-butyl-1,3-dioxo-5-isoindolyl)-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-butyl-1,3-dioxoisoindole-5-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(2-butyl-1,3-diketo-isoindoline-5-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C20H25N3O5 MolecularWeight: 387.4296

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5/c1-3-5-8-23-18(25)15-7-6-14(13-16(15)19(23)26)17(24)21-9-11-22(12-10-21)20(27)28-4-2/h6-7,13H,3-5,8-12H2,1-2H3