4-bromanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide CAS Name: 4-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-(trifluoromethyl)-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Traditional Name: 4-bromo-N-homoveratryl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Formula: C16H17BrF3N3O3 MolecularWeight: 436.22369

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)Br)C(F)(F)F

Isomeric SMILES

CN1C(=C(C(=N1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)Br)C(F)(F)F

InChI

InChI=1S/C16H17BrF3N3O3/c1-23-14(16(18,19)20)12(17)13(22-23)15(24)21-7-6-9-4-5-10(25-2)11(8-9)26-3/h4-5,8H,6-7H2,1-3H3,(H,21,24)