6-(hydroxymethyl)-3-oxidanyl-2-[(pyridin-2-ylamino)-[4-(trifluoromethyl)phenyl]methyl]pyran-4-one

Systemtic Name: 6-(hydroxymethyl)-3-oxidanyl-2-[(pyridin-2-ylamino)-[4-(trifluoromethyl)phenyl]methyl]pyran-4-one Openeye Name: 3-hydroxy-6-(hydroxymethyl)-2-[(2-pyridylamino)-[4-(trifluoromethyl)phenyl]methyl]pyran-4-one CAS Name: 3-hydroxy-6-(hydroxymethyl)-2-[(2-pyridinylamino)-[4-(trifluoromethyl)phenyl]methyl]-4-pyranone IUPAC Name: 3-hydroxy-6-(hydroxymethyl)-2-[(pyridin-2-ylamino)-[4-(trifluoromethyl)phenyl]methyl]pyran-4-one Traditional Name: 3-hydroxy-6-methylol-2-[(2-pyridylamino)-[4-(trifluoromethyl)phenyl]methyl]pyran-4-one Formula: C19H15F3N2O4 MolecularWeight: 392.32861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NC(C2=CC=C(C=C2)C(F)(F)F)C3=C(C(=O)C=C(O3)CO)O

Isomeric SMILES

C1=CC=NC(=C1)NC(C2=CC=C(C=C2)C(F)(F)F)C3=C(C(=O)C=C(O3)CO)O

InChI

InChI=1S/C19H15F3N2O4/c20-19(21,22)12-6-4-11(5-7-12)16(24-15-3-1-2-8-23-15)18-17(27)14(26)9-13(10-25)28-18/h1-9,16,25,27H,10H2,(H,23,24)