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

Systemtic Name: 4-bromanyl-1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-3,5-bis(3,4-dimethoxyphenyl)pyrazole Openeye Name: 4-bromo-1-[(2-chloro-4-fluoro-phenyl)methyl]-3,5-bis(3,4-dimethoxyphenyl)pyrazole CAS Name: 4-bromo-1-[(2-chloro-4-fluorophenyl)methyl]-3,5-bis(3,4-dimethoxyphenyl)pyrazole IUPAC Name: 4-bromo-1-[(2-chloro-4-fluorophenyl)methyl]-3,5-bis(3,4-dimethoxyphenyl)pyrazole Traditional Name: 4-bromo-1-(2-chloro-4-fluoro-benzyl)-3,5-bis(3,4-dimethoxyphenyl)pyrazole Formula: C26H23BrClFN2O4 MolecularWeight: 561.827223

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H23BrClFN2O4/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(29)13-19(17)28/h5-13H,14H2,1-4H3