(2S)-2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylquinolin-4-yl)propanamide

Systemtic Name: (2S)-2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylquinolin-4-yl)propanamide Openeye Name: (2S)-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methyl-4-quinolyl)propanamide CAS Name: (2S)-2-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-N-(2-methyl-4-quinolinyl)propanamide IUPAC Name: (2S)-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylquinolin-4-yl)propanamide Traditional Name: (2S)-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methyl-4-quinolyl)propionamide Formula: C18H16BrF3N4O MolecularWeight: 441.24505

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)C(C)N3C(=C(C(=N3)C(F)(F)F)Br)C

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)[C@H](C)N3C(=C(C(=N3)C(F)(F)F)Br)C

InChI

InChI=1S/C18H16BrF3N4O/c1-9-8-14(12-6-4-5-7-13(12)23-9)24-17(27)11(3)26-10(2)15(19)16(25-26)18(20,21)22/h4-8,11H,1-3H3,(H,23,24,27)/t11-/m0/s1