N-[3-bromanyl-4-(2,2-dimethylpropoxy)phenyl]-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxamide

Systemtic Name: N-[3-bromanyl-4-(2,2-dimethylpropoxy)phenyl]-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxamide Openeye Name: N-[3-bromo-4-(2,2-dimethylpropoxy)phenyl]-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxamide CAS Name: N-[3-bromo-4-(2,2-dimethylpropoxy)phenyl]-1-(4-fluorophenyl)-3-methyl-4-pyrazolecarboxamide IUPAC Name: N-[3-bromo-4-(2,2-dimethylpropoxy)phenyl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide Traditional Name: N-(3-bromo-4-neopentyloxy-phenyl)-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxamide Formula: C22H23BrFN3O2 MolecularWeight: 460.339323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C(=O)NC2=CC(=C(C=C2)OCC(C)(C)C)Br)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C=C1C(=O)NC2=CC(=C(C=C2)OCC(C)(C)C)Br)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H23BrFN3O2/c1-14-18(12-27(26-14)17-8-5-15(24)6-9-17)21(28)25-16-7-10-20(19(23)11-16)29-13-22(2,3)4/h5-12H,13H2,1-4H3,(H,25,28)