methyl 1-[[4-bromanyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylate

Systemtic Name: methyl 1-[[4-bromanyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylate Openeye Name: methyl 1-[[4-bromo-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylate CAS Name: 1-[[4-bromo-3,5-bis(4-methoxyphenyl)-1-pyrazolyl]methyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-bromo-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylate Traditional Name: 1-[[4-bromo-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylic acid methyl ester Formula: C23H21BrN4O4 MolecularWeight: 497.34124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=NN2CN3C=CC(=N3)C(=O)OC)C4=CC=C(C=C4)OC)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=NN2CN3C=CC(=N3)C(=O)OC)C4=CC=C(C=C4)OC)Br

InChI

InChI=1S/C23H21BrN4O4/c1-30-17-8-4-15(5-9-17)21-20(24)22(16-6-10-18(31-2)11-7-16)28(26-21)14-27-13-12-19(25-27)23(29)32-3/h4-13H,14H2,1-3H3