[(5S)-3-methyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylquinolin-4-yl)methanone

Systemtic Name: [(5S)-3-methyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylquinolin-4-yl)methanone Openeye Name: [(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methyl-4-quinolyl)methanone CAS Name: [(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methyl-4-quinolinyl)methanone IUPAC Name: [(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylquinolin-4-yl)methanone Traditional Name: [(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(2-methyl-4-quinolyl)methanone Formula: C16H14F3N3O2 MolecularWeight: 337.29647

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC(=NC3=CC=CC=C32)C

Isomeric SMILES

CC1=NN([C@](C1)(C(F)(F)F)O)C(=O)C2=CC(=NC3=CC=CC=C32)C

InChI

InChI=1S/C16H14F3N3O2/c1-9-7-12(11-5-3-4-6-13(11)20-9)14(23)22-15(24,16(17,18)19)8-10(2)21-22/h3-7,24H,8H2,1-2H3/t15-/m0/s1