2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(diethylamino)-4-methyl-quinolin-6-yl]ethanamide

Systemtic Name: 2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(diethylamino)-4-methyl-quinolin-6-yl]ethanamide Openeye Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(diethylamino)-4-methyl-6-quinolyl]acetamide CAS Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-N-[2-(diethylamino)-4-methyl-6-quinolinyl]acetamide IUPAC Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(diethylamino)-4-methylquinolin-6-yl]acetamide Traditional Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(diethylamino)-4-methyl-6-quinolyl]acetamide Formula: C21H23BrF3N5O MolecularWeight: 498.33943

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(C=C(C=C2)NC(=O)CN3C(=C(C(=N3)C(F)(F)F)Br)C)C(=C1)C

Isomeric SMILES

CCN(CC)C1=NC2=C(C=C(C=C2)NC(=O)CN3C(=C(C(=N3)C(F)(F)F)Br)C)C(=C1)C

InChI

InChI=1S/C21H23BrF3N5O/c1-5-29(6-2)17-9-12(3)15-10-14(7-8-16(15)27-17)26-18(31)11-30-13(4)19(22)20(28-30)21(23,24)25/h7-10H,5-6,11H2,1-4H3,(H,26,31)