methyl 5-[[4-bromanyl-3,5-bis(4-fluorophenyl)pyrazol-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-bromanyl-3,5-bis(4-fluorophenyl)pyrazol-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-bromo-3,5-bis(4-fluorophenyl)pyrazol-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-bromo-3,5-bis(4-fluorophenyl)-1-pyrazolyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-bromo-3,5-bis(4-fluorophenyl)pyrazol-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-bromo-3,5-bis(4-fluorophenyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C22H15BrF2N2O3 MolecularWeight: 473.266906

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2C(=C(C(=N2)C3=CC=C(C=C3)F)Br)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2C(=C(C(=N2)C3=CC=C(C=C3)F)Br)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H15BrF2N2O3/c1-29-22(28)18-11-10-17(30-18)12-27-21(14-4-8-16(25)9-5-14)19(23)20(26-27)13-2-6-15(24)7-3-13/h2-11H,12H2,1H3