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

Systemtic Name: tert-butyl 4-[2-(cyclohexylmethyl)-3-oxidanylidene-1H-isoindol-5-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(cyclohexylmethyl)-3-oxo-isoindolin-5-yl]piperazine-1-carboxylate CAS Name: 4-[2-(cyclohexylmethyl)-3-oxo-1H-isoindol-5-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(cyclohexylmethyl)-3-oxo-1H-isoindol-5-yl]piperazine-1-carboxylate Traditional Name: 4-[2-(cyclohexylmethyl)-3-keto-isoindolin-5-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H35N3O3 MolecularWeight: 413.553

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(CN(C3=O)CC4CCCCC4)C=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(CN(C3=O)CC4CCCCC4)C=C2

InChI

InChI=1S/C24H35N3O3/c1-24(2,3)30-23(29)26-13-11-25(12-14-26)20-10-9-19-17-27(22(28)21(19)15-20)16-18-7-5-4-6-8-18/h9-10,15,18H,4-8,11-14,16-17H2,1-3H3