3-(3-bromanyl-4-methoxy-phenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-(3-bromanyl-4-methoxy-phenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-(3-bromo-4-methoxy-phenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide CAS Name: 3-(3-bromo-4-methoxyphenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-(3-bromo-4-methoxyphenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-(3-bromo-4-methoxy-phenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propionamide Formula: C13H12BrF3N4O2 MolecularWeight: 393.15919

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NC2=NNC(=N2)C(F)(F)F)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NC2=NNC(=N2)C(F)(F)F)Br

InChI

InChI=1S/C13H12BrF3N4O2/c1-23-9-4-2-7(6-8(9)14)3-5-10(22)18-12-19-11(20-21-12)13(15,16)17/h2,4,6H,3,5H2,1H3,(H2,18,19,20,21,22)