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

Systemtic Name: (diphenylmethyl) 4-(2-cyclohexyl-3-oxidanylidene-1H-isoindol-1-yl)piperazine-1-carboxylate Openeye Name: benzhydryl 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 (diphenylmethyl) ester IUPAC Name: benzhydryl 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 benzhydryl ester Formula: C32H35N3O3 MolecularWeight: 509.6386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(C3=CC=CC=C3C2=O)N4CCN(CC4)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)N2C(C3=CC=CC=C3C2=O)N4CCN(CC4)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H35N3O3/c36-31-28-19-11-10-18-27(28)30(35(31)26-16-8-3-9-17-26)33-20-22-34(23-21-33)32(37)38-29(24-12-4-1-5-13-24)25-14-6-2-7-15-25/h1-2,4-7,10-15,18-19,26,29-30H,3,8-9,16-17,20-23H2