4-bromanyl-1-[(2,4-dichlorophenyl)methyl]-3,5-bis(3,4-dimethoxyphenyl)pyrazole

Systemtic Name: 4-bromanyl-1-[(2,4-dichlorophenyl)methyl]-3,5-bis(3,4-dimethoxyphenyl)pyrazole Openeye Name: 4-bromo-1-[(2,4-dichlorophenyl)methyl]-3,5-bis(3,4-dimethoxyphenyl)pyrazole CAS Name: 4-bromo-1-[(2,4-dichlorophenyl)methyl]-3,5-bis(3,4-dimethoxyphenyl)pyrazole IUPAC Name: 4-bromo-1-[(2,4-dichlorophenyl)methyl]-3,5-bis(3,4-dimethoxyphenyl)pyrazole Traditional Name: 4-bromo-1-(2,4-dichlorobenzyl)-3,5-bis(3,4-dimethoxyphenyl)pyrazole Formula: C26H23BrCl2N2O4 MolecularWeight: 578.28182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=NN2CC3=C(C=C(C=C3)Cl)Cl)C4=CC(=C(C=C4)OC)OC)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=NN2CC3=C(C=C(C=C3)Cl)Cl)C4=CC(=C(C=C4)OC)OC)Br)OC

InChI

InChI=1S/C26H23BrCl2N2O4/c1-32-20-9-6-15(11-22(20)34-3)25-24(27)26(16-7-10-21(33-2)23(12-16)35-4)31(30-25)14-17-5-8-18(28)13-19(17)29/h5-13H,14H2,1-4H3