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

Systemtic Name: tert-butyl 4-(4-chloranyl-2-cyclohexyl-3-oxidanylidene-1H-isoindol-5-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(4-chloro-2-cyclohexyl-3-oxo-isoindolin-5-yl)piperazine-1-carboxylate CAS Name: 4-(4-chloro-2-cyclohexyl-3-oxo-1H-isoindol-5-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-chloro-2-cyclohexyl-3-oxo-1H-isoindol-5-yl)piperazine-1-carboxylate Traditional Name: 4-(4-chloro-2-cyclohexyl-3-keto-isoindolin-5-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C23H32ClN3O3 MolecularWeight: 433.97148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32ClN3O3/c1-23(2,3)30-22(29)26-13-11-25(12-14-26)18-10-9-16-15-27(17-7-5-4-6-8-17)21(28)19(16)20(18)24/h9-10,17H,4-8,11-15H2,1-3H3