[5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrazol-3-yl] 4-fluoranylbenzoate

Systemtic Name: [5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrazol-3-yl] 4-fluoranylbenzoate Openeye Name: [5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrazol-3-yl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-3-pyrazolyl] ester IUPAC Name: [5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrazol-3-yl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrazol-3-yl] ester Formula: C25H21FN2O5 MolecularWeight: 448.443043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC(=C(C=C3)OC)OC)OC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC(=C(C=C3)OC)OC)OC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H21FN2O5/c1-30-20-11-9-19(10-12-20)28-24(33-25(29)16-4-7-18(26)8-5-16)15-21(27-28)17-6-13-22(31-2)23(14-17)32-3/h4-15H,1-3H3