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

Systemtic Name: tert-butyl 4-(4-chloranyl-2-cyclohexyl-3-oxidanylidene-1H-isoindol-1-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(4-chloro-2-cyclohexyl-3-oxo-isoindolin-1-yl)piperazine-1-carboxylate CAS Name: 4-(4-chloro-2-cyclohexyl-3-oxo-1H-isoindol-1-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-chloro-2-cyclohexyl-3-oxo-1H-isoindol-1-yl)piperazine-1-carboxylate Traditional Name: 4-(4-chloro-2-cyclohexyl-3-keto-isoindolin-1-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)C2C3=C(C(=CC=C3)Cl)C(=O)N2C4CCCCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2C3=C(C(=CC=C3)Cl)C(=O)N2C4CCCCC4

InChI

InChI=1S/C23H32ClN3O3/c1-23(2,3)30-22(29)26-14-12-25(13-15-26)20-17-10-7-11-18(24)19(17)21(28)27(20)16-8-5-4-6-9-16/h7,10-11,16,20H,4-6,8-9,12-15H2,1-3H3