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

Systemtic Name: 4-bromanyl-N-[(3,4-diethoxyphenyl)methyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[(3,4-diethoxyphenyl)methyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide CAS Name: 4-bromo-N-[(3,4-diethoxyphenyl)methyl]-2-methyl-5-(trifluoromethyl)-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[(3,4-diethoxyphenyl)methyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Traditional Name: 4-bromo-N-(3,4-diethoxybenzyl)-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Formula: C17H19BrF3N3O3 MolecularWeight: 450.25027

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C2=C(C(=NN2C)C(F)(F)F)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C2=C(C(=NN2C)C(F)(F)F)Br)OCC

InChI

InChI=1S/C17H19BrF3N3O3/c1-4-26-11-7-6-10(8-12(11)27-5-2)9-22-16(25)14-13(18)15(17(19,20)21)23-24(14)3/h6-8H,4-5,9H2,1-3H3,(H,22,25)