N-(4-bromanyl-3-methyl-phenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C18H12BrF4N3O MolecularWeight: 442.204993

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)C(F)(F)F)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)C(F)(F)F)Br

InChI

InChI=1S/C18H12BrF4N3O/c1-10-8-12(4-7-15(10)19)25-17(27)14-9-24-26(16(14)18(21,22)23)13-5-2-11(20)3-6-13/h2-9H,1H3,(H,25,27)