N-(2-bromanyl-4-methyl-phenyl)-3-[2-(4-fluorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]propanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-3-[2-(4-fluorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]propanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide CAS Name: N-(2-bromo-4-methylphenyl)-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide IUPAC Name: N-(2-bromo-4-methylphenyl)-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-3-[1-(4-fluorophenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]propionamide Formula: C20H19BrFN3O2 MolecularWeight: 432.286163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCC2=C(NN(C2=O)C3=CC=C(C=C3)F)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCC2=C(NN(C2=O)C3=CC=C(C=C3)F)C)Br

InChI

InChI=1S/C20H19BrFN3O2/c1-12-3-9-18(17(21)11-12)23-19(26)10-8-16-13(2)24-25(20(16)27)15-6-4-14(22)5-7-15/h3-7,9,11,24H,8,10H2,1-2H3,(H,23,26)