N-(5-bromanylquinolin-8-yl)-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]ethanamide

Systemtic Name: N-(5-bromanylquinolin-8-yl)-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]ethanamide Openeye Name: N-(5-bromo-8-quinolyl)-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide CAS Name: N-(5-bromo-8-quinolinyl)-2-[5-methyl-4-nitro-3-(trifluoromethyl)-1-pyrazolyl]acetamide IUPAC Name: N-(5-bromoquinolin-8-yl)-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide Traditional Name: N-(5-bromo-8-quinolyl)-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide Formula: C16H11BrF3N5O3 MolecularWeight: 458.18945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=C3C(=C(C=C2)Br)C=CC=N3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=C3C(=C(C=C2)Br)C=CC=N3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H11BrF3N5O3/c1-8-14(25(27)28)15(16(18,19)20)23-24(8)7-12(26)22-11-5-4-10(17)9-3-2-6-21-13(9)11/h2-6H,7H2,1H3,(H,22,26)