(diphenylmethyl) 4-(2-cyclohexyl-3-oxidanylidene-1H-isoindol-5-yl)piperazine-1-carboxylate

Systemtic Name: (diphenylmethyl) 4-(2-cyclohexyl-3-oxidanylidene-1H-isoindol-5-yl)piperazine-1-carboxylate Openeye Name: benzhydryl 4-(2-cyclohexyl-3-oxo-isoindolin-5-yl)piperazine-1-carboxylate CAS Name: 4-(2-cyclohexyl-3-oxo-1H-isoindol-5-yl)-1-piperazinecarboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 4-(2-cyclohexyl-3-oxo-1H-isoindol-5-yl)piperazine-1-carboxylate Traditional Name: 4-(2-cyclohexyl-3-keto-isoindolin-5-yl)piperazine-1-carboxylic acid benzhydryl ester Formula: C32H35N3O3 MolecularWeight: 509.6386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC3=C(C2=O)C=C(C=C3)N4CCN(CC4)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)N2CC3=C(C2=O)C=C(C=C3)N4CCN(CC4)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

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