N-[4-bromanyl-3-(trifluoromethyl)phenyl]-1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxamide

Systemtic Name: N-[4-bromanyl-3-(trifluoromethyl)phenyl]-1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxamide Openeye Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-1-butyl-5-chloro-3-methyl-pyrazole-4-carboxamide CAS Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-1-butyl-5-chloro-3-methyl-4-pyrazolecarboxamide IUPAC Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-1-butyl-5-chloro-3-methylpyrazole-4-carboxamide Traditional Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-1-butyl-5-chloro-3-methyl-pyrazole-4-carboxamide Formula: C16H16BrClF3N3O MolecularWeight: 438.66995

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F)Cl

InChI

InChI=1S/C16H16BrClF3N3O/c1-3-4-7-24-14(18)13(9(2)23-24)15(25)22-10-5-6-12(17)11(8-10)16(19,20)21/h5-6,8H,3-4,7H2,1-2H3,(H,22,25)