[(1S)-2-oxidanylidenecyclohexyl] 2,5-diphenylpyrazole-3-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 2,5-diphenylpyrazole-3-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 2,5-diphenylpyrazole-3-carboxylate CAS Name: 2,5-diphenyl-3-pyrazolecarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 2,5-diphenylpyrazole-3-carboxylate Traditional Name: 2,5-diphenylpyrazole-3-carboxylic acid [(1S)-2-ketocyclohexyl] ester Formula: C22H20N2O3 MolecularWeight: 360.4058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N2O3/c25-20-13-7-8-14-21(20)27-22(26)19-15-18(16-9-3-1-4-10-16)23-24(19)17-11-5-2-6-12-17/h1-6,9-12,15,21H,7-8,13-14H2/t21-/m0/s1