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

Systemtic Name: methyl 5-[[3,5-bis(3-bromophenyl)pyrazol-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[3,5-bis(3-bromophenyl)pyrazol-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[3,5-bis(3-bromophenyl)-1-pyrazolyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[3,5-bis(3-bromophenyl)pyrazol-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[3,5-bis(3-bromophenyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C22H16Br2N2O3 MolecularWeight: 516.18204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16Br2N2O3/c1-28-22(27)21-9-8-18(29-21)13-26-20(15-5-3-7-17(24)11-15)12-19(25-26)14-4-2-6-16(23)10-14/h2-12H,13H2,1H3