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

Systemtic Name: methyl 5-[[4-bromanyl-3,5-bis(3,4-dimethylphenyl)pyrazol-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-bromo-3,5-bis(3,4-dimethylphenyl)pyrazol-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-bromo-3,5-bis(3,4-dimethylphenyl)-1-pyrazolyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-bromo-3,5-bis(3,4-dimethylphenyl)pyrazol-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-bromo-3,5-bis(3,4-dimethylphenyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C26H25BrN2O3 MolecularWeight: 493.3923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C(=NN2CC3=CC=C(O3)C(=O)OC)C4=CC(=C(C=C4)C)C)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C(=NN2CC3=CC=C(O3)C(=O)OC)C4=CC(=C(C=C4)C)C)Br)C

InChI

InChI=1S/C26H25BrN2O3/c1-15-6-8-19(12-17(15)3)24-23(27)25(20-9-7-16(2)18(4)13-20)29(28-24)14-21-10-11-22(32-21)26(30)31-5/h6-13H,14H2,1-5H3