[(1R)-2-cyclohexyl-3-oxidanylidene-1H-isoindol-1-yl] 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: [(1R)-2-cyclohexyl-3-oxidanylidene-1H-isoindol-1-yl] 1,3-diphenylpyrazole-4-carboxylate Openeye Name: [(1R)-2-cyclohexyl-3-oxo-isoindolin-1-yl] 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid [(1R)-2-cyclohexyl-3-oxo-1H-isoindol-1-yl] ester IUPAC Name: [(1R)-2-cyclohexyl-3-oxo-1H-isoindol-1-yl] 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid [(1R)-2-cyclohexyl-3-keto-isoindolin-1-yl] ester Formula: C30H27N3O3 MolecularWeight: 477.55368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(C3=CC=CC=C3C2=O)OC(=O)C4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)N2[C@@H](C3=CC=CC=C3C2=O)OC(=O)C4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H27N3O3/c34-28-24-18-10-11-19-25(24)29(33(28)23-16-8-3-9-17-23)36-30(35)26-20-32(22-14-6-2-7-15-22)31-27(26)21-12-4-1-5-13-21/h1-2,4-7,10-15,18-20,23,29H,3,8-9,16-17H2/t29-/m1/s1