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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=CC=C2N

Isomeric SMILES

CCCCCCC1=NN([C@](C1)(C(F)(F)F)O)C(=O)C2=CC=CC=C2N

InChI

InChI=1S/C17H22F3N3O2/c1-2-3-4-5-8-12-11-16(25,17(18,19)20)23(22-12)15(24)13-9-6-7-10-14(13)21/h6-7,9-10,25H,2-5,8,11,21H2,1H3/t16-/m0/s1