[(5S)-3-butyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-dimethylaminophenyl)methanone

Systemtic Name: [(5S)-3-butyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-dimethylaminophenyl)methanone Openeye Name: [(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-dimethylaminophenyl)methanone CAS Name: [(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-dimethylaminophenyl)methanone IUPAC Name: [(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-dimethylaminophenyl)methanone Traditional Name: [(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(4-dimethylaminophenyl)methanone Formula: C17H22F3N3O2 MolecularWeight: 357.37069

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCCCC1=NN([C@](C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C17H22F3N3O2/c1-4-5-6-13-11-16(25,17(18,19)20)23(21-13)15(24)12-7-9-14(10-8-12)22(2)3/h7-10,25H,4-6,11H2,1-3H3/t16-/m0/s1