4-oxidanylidene-3-pentyl-N-[6-[2,2,2-tris(fluoranyl)ethoxy]pyridin-3-yl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-pentyl-N-[6-[2,2,2-tris(fluoranyl)ethoxy]pyridin-3-yl]phthalazine-1-carboxamide Openeye Name: 4-oxo-3-pentyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridyl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-pentyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-pentyl-N-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]phthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[6-(2,2,2-trifluoroethoxy)-3-pyridyl]phthalazine-1-carboxamide Formula: C21H21F3N4O3 MolecularWeight: 434.41165

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CN=C(C=C3)OCC(F)(F)F

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CN=C(C=C3)OCC(F)(F)F

InChI

InChI=1S/C21H21F3N4O3/c1-2-3-6-11-28-20(30)16-8-5-4-7-15(16)18(27-28)19(29)26-14-9-10-17(25-12-14)31-13-21(22,23)24/h4-5,7-10,12H,2-3,6,11,13H2,1H3,(H,26,29)