tert-butyl 4-(2-cyclohexyl-3-oxidanylidene-1H-isoindol-5-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-cyclohexyl-3-oxidanylidene-1H-isoindol-5-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(2-cyclohexyl-3-oxo-isoindolin-5-yl)piperazine-1-carboxylate CAS Name: 4-(2-cyclohexyl-3-oxo-1H-isoindol-5-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-cyclohexyl-3-oxo-1H-isoindol-5-yl)piperazine-1-carboxylate Traditional Name: 4-(2-cyclohexyl-3-keto-isoindolin-5-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C23H33N3O3 MolecularWeight: 399.52642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O3/c1-23(2,3)29-22(28)25-13-11-24(12-14-25)19-10-9-17-16-26(21(27)20(17)15-19)18-7-5-4-6-8-18/h9-10,15,18H,4-8,11-14,16H2,1-3H3