[(1S)-2-oxidanylidenecyclohexyl] 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate CAS Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-4-pyrazolecarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylic acid [(1S)-2-ketocyclohexyl] ester Formula: C23H21FN2O4 MolecularWeight: 408.422243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)OC3CCCCC3=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)O[C@H]3CCCCC3=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H21FN2O4/c1-29-18-6-4-5-15(13-18)22-19(23(28)30-21-8-3-2-7-20(21)27)14-26(25-22)17-11-9-16(24)10-12-17/h4-6,9-14,21H,2-3,7-8H2,1H3/t21-/m0/s1