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

Systemtic Name: 1-[5-(2-bromanyl-4-fluoranyl-phenoxy)-1,3-dimethyl-pyrazol-4-yl]-N-methyl-methanamine Openeye Name: 1-[5-(2-bromo-4-fluoro-phenoxy)-1,3-dimethyl-pyrazol-4-yl]-N-methyl-methanamine CAS Name: 1-[5-(2-bromo-4-fluorophenoxy)-1,3-dimethyl-4-pyrazolyl]-N-methylmethanamine IUPAC Name: 1-[5-(2-bromo-4-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine Traditional Name: [5-(2-bromo-4-fluoro-phenoxy)-1,3-dimethyl-pyrazol-4-yl]methyl-methyl-amine Formula: C13H15BrFN3O MolecularWeight: 328.180103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CNC)OC2=C(C=C(C=C2)F)Br)C

Isomeric SMILES

CC1=NN(C(=C1CNC)OC2=C(C=C(C=C2)F)Br)C

InChI

InChI=1S/C13H15BrFN3O/c1-8-10(7-16-2)13(18(3)17-8)19-12-5-4-9(15)6-11(12)14/h4-6,16H,7H2,1-3H3