(phenylmethyl) 4-(2-cyclohexyl-3-oxidanylidene-1H-isoindol-1-yl)piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(2-cyclohexyl-3-oxidanylidene-1H-isoindol-1-yl)piperazine-1-carboxylate Openeye Name: benzyl 4-(2-cyclohexyl-3-oxo-isoindolin-1-yl)piperazine-1-carboxylate CAS Name: 4-(2-cyclohexyl-3-oxo-1H-isoindol-1-yl)-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2-cyclohexyl-3-oxo-1H-isoindol-1-yl)piperazine-1-carboxylate Traditional Name: 4-(2-cyclohexyl-3-keto-isoindolin-1-yl)piperazine-1-carboxylic acid benzyl ester Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(C3=CC=CC=C3C2=O)N4CCN(CC4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C(C3=CC=CC=C3C2=O)N4CCN(CC4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C26H31N3O3/c30-25-23-14-8-7-13-22(23)24(29(25)21-11-5-2-6-12-21)27-15-17-28(18-16-27)26(31)32-19-20-9-3-1-4-10-20/h1,3-4,7-10,13-14,21,24H,2,5-6,11-12,15-19H2