(E)-3-[[3,5-bis(trifluoromethyl)phenyl]amino]-1-pyridin-3-yl-but-2-en-1-one

Systemtic Name: (E)-3-[[3,5-bis(trifluoromethyl)phenyl]amino]-1-pyridin-3-yl-but-2-en-1-one Openeye Name: (E)-3-[3,5-bis(trifluoromethyl)anilino]-1-(3-pyridyl)but-2-en-1-one CAS Name: (E)-3-[3,5-bis(trifluoromethyl)anilino]-1-(3-pyridinyl)-2-buten-1-one IUPAC Name: (E)-3-[3,5-bis(trifluoromethyl)anilino]-1-pyridin-3-ylbut-2-en-1-one Traditional Name: (E)-3-[3,5-bis(trifluoromethyl)anilino]-1-(3-pyridyl)but-2-en-1-one Formula: C17H12F6N2O MolecularWeight: 374.280399

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C1=CN=CC=C1)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C/C(=C\C(=O)C1=CN=CC=C1)/NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H12F6N2O/c1-10(5-15(26)11-3-2-4-24-9-11)25-14-7-12(16(18,19)20)6-13(8-14)17(21,22)23/h2-9,25H,1H3/b10-5+