[2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 4-fluoranylbenzoate

Systemtic Name: [2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 4-fluoranylbenzoate Openeye Name: [2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-oxo-ethyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-oxoethyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [2-keto-2-[(5R)-5-(4-methoxyphenyl)-3-phenyl-3-pyrazolin-1-yl]ethyl] ester Formula: C25H21FN2O4 MolecularWeight: 432.443643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C=C(NN2C(=O)COC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2C=C(NN2C(=O)COC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C25H21FN2O4/c1-31-21-13-9-18(10-14-21)23-15-22(17-5-3-2-4-6-17)27-28(23)24(29)16-32-25(30)19-7-11-20(26)12-8-19/h2-15,23,27H,16H2,1H3/t23-/m1/s1