tert-butyl 4-(6-chloranyl-2-cyclohexyl-3-oxidanylidene-1H-isoindol-1-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(6-chloranyl-2-cyclohexyl-3-oxidanylidene-1H-isoindol-1-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(6-chloro-2-cyclohexyl-3-oxo-isoindolin-1-yl)piperazine-1-carboxylate CAS Name: 4-(6-chloro-2-cyclohexyl-3-oxo-1H-isoindol-1-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-chloro-2-cyclohexyl-3-oxo-1H-isoindol-1-yl)piperazine-1-carboxylate Traditional Name: 4-(6-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)26-13-11-25(12-14-26)20-19-15-16(24)9-10-18(19)21(28)27(20)17-7-5-4-6-8-17/h9-10,15,17,20H,4-8,11-14H2,1-3H3