N-(4-bromanyl-2-fluoranyl-phenyl)-1-propyl-pyrazole-3-carboxamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-1-propyl-pyrazole-3-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-1-propyl-pyrazole-3-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-1-propyl-3-pyrazolecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-1-propylpyrazole-3-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-1-propyl-pyrazole-3-carboxamide Formula: C13H13BrFN3O MolecularWeight: 326.164223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CC(=N1)C(=O)NC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CCCN1C=CC(=N1)C(=O)NC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C13H13BrFN3O/c1-2-6-18-7-5-12(17-18)13(19)16-11-4-3-9(14)8-10(11)15/h3-5,7-8H,2,6H2,1H3,(H,16,19)