tert-butyl 4-(6-chloranyl-2-cyclohexyl-3-oxidanylidene-1H-isoindol-5-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(6-chloranyl-2-cyclohexyl-3-oxidanylidene-1H-isoindol-5-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(6-chloro-2-cyclohexyl-3-oxo-isoindolin-5-yl)piperazine-1-carboxylate CAS Name: 4-(6-chloro-2-cyclohexyl-3-oxo-1H-isoindol-5-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-chloro-2-cyclohexyl-3-oxo-1H-isoindol-5-yl)piperazine-1-carboxylate Traditional Name: 4-(6-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(C=C3CN(C(=O)C3=C2)C4CCCCC4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3CN(C(=O)C3=C2)C4CCCCC4)Cl

InChI

InChI=1S/C23H32ClN3O3/c1-23(2,3)30-22(29)26-11-9-25(10-12-26)20-14-18-16(13-19(20)24)15-27(21(18)28)17-7-5-4-6-8-17/h13-14,17H,4-12,15H2,1-3H3