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

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-methyl-4-pyrazolecarboxamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide Formula: C21H21BrFN3O3 MolecularWeight: 462.312143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NCCC3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NCCC3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C21H21BrFN3O3/c1-13-17(12-25-26(13)16-6-4-15(23)5-7-16)21(27)24-9-8-14-10-19(28-2)20(29-3)11-18(14)22/h4-7,10-12H,8-9H2,1-3H3,(H,24,27)