2-[(2S)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-6-phenyl-4-(trifluoromethyl)pyridazin-3-one

Systemtic Name: 2-[(2S)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-6-phenyl-4-(trifluoromethyl)pyridazin-3-one Openeye Name: 2-[(2S)-3-(4-bromophenoxy)-2-hydroxy-propyl]-6-phenyl-4-(trifluoromethyl)pyridazin-3-one CAS Name: 2-[(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]-6-phenyl-4-(trifluoromethyl)-3-pyridazinone IUPAC Name: 2-[(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]-6-phenyl-4-(trifluoromethyl)pyridazin-3-one Traditional Name: 2-[(2S)-3-(4-bromophenoxy)-2-hydroxy-propyl]-6-phenyl-4-(trifluoromethyl)pyridazin-3-one Formula: C20H16BrF3N2O3 MolecularWeight: 469.25185

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C(=C2)C(F)(F)F)CC(COC3=CC=C(C=C3)Br)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)C(=C2)C(F)(F)F)C[C@@H](COC3=CC=C(C=C3)Br)O

InChI

InChI=1S/C20H16BrF3N2O3/c21-14-6-8-16(9-7-14)29-12-15(27)11-26-19(28)17(20(22,23)24)10-18(25-26)13-4-2-1-3-5-13/h1-10,15,27H,11-12H2/t15-/m0/s1