[5-(4-bromanyl-2-fluoranyl-phenoxy)-1,3-dimethyl-pyrazol-4-yl]methanamine

Systemtic Name: [5-(4-bromanyl-2-fluoranyl-phenoxy)-1,3-dimethyl-pyrazol-4-yl]methanamine Openeye Name: [5-(4-bromo-2-fluoro-phenoxy)-1,3-dimethyl-pyrazol-4-yl]methanamine CAS Name: [5-(4-bromo-2-fluorophenoxy)-1,3-dimethyl-4-pyrazolyl]methanamine IUPAC Name: [5-(4-bromo-2-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanamine Traditional Name: [5-(4-bromo-2-fluoro-phenoxy)-1,3-dimethyl-pyrazol-4-yl]methylamine Formula: C12H13BrFN3O MolecularWeight: 314.153523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN)OC2=C(C=C(C=C2)Br)F)C

Isomeric SMILES

CC1=NN(C(=C1CN)OC2=C(C=C(C=C2)Br)F)C

InChI

InChI=1S/C12H13BrFN3O/c1-7-9(6-15)12(17(2)16-7)18-11-4-3-8(13)5-10(11)14/h3-5H,6,15H2,1-2H3