(4-bromanyl-2-fluoranyl-phenyl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinecarboxylic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate Traditional Name: 6-(3,5-dimethylpyrazol-1-yl)nicotinic acid (4-bromo-2-fluoro-benzyl) ester Formula: C18H15BrFN3O2 MolecularWeight: 404.233003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC=C(C=C2)C(=O)OCC3=C(C=C(C=C3)Br)F)C

Isomeric SMILES

CC1=CC(=NN1C2=NC=C(C=C2)C(=O)OCC3=C(C=C(C=C3)Br)F)C

InChI

InChI=1S/C18H15BrFN3O2/c1-11-7-12(2)23(22-11)17-6-4-13(9-21-17)18(24)25-10-14-3-5-15(19)8-16(14)20/h3-9H,10H2,1-2H3