[(1S)-2-oxidanylidenecyclohexyl] 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylic acid [(1S)-2-ketocyclohexyl] ester Formula: C23H22N2O3 MolecularWeight: 374.43238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OC3CCCCC3=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)O[C@H]3CCCCC3=O)C4=CC=CC=C4

InChI

InChI=1S/C23H22N2O3/c1-16-11-13-17(14-12-16)22-19(15-25(24-22)18-7-3-2-4-8-18)23(27)28-21-10-6-5-9-20(21)26/h2-4,7-8,11-15,21H,5-6,9-10H2,1H3/t21-/m0/s1