N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide Formula: C20H19BrFN3O3 MolecularWeight: 448.285563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=C(NN=C2)C3=CC=C(C=C3)F)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=C(NN=C2)C3=CC=C(C=C3)F)Br)OC

InChI

InChI=1S/C20H19BrFN3O3/c1-27-17-9-13(16(21)10-18(17)28-2)7-8-23-20(26)15-11-24-25-19(15)12-3-5-14(22)6-4-12/h3-6,9-11H,7-8H2,1-2H3,(H,23,26)(H,24,25)