N-ethylethanamine; 2-ethyl-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one

Systemtic Name: N-ethylethanamine; 2-ethyl-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one Openeye Name: N-ethylethanamine; 2-ethyl-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)isoxazol-5-one CAS Name: N-ethylethanamine; 2-ethyl-4-(4-fluorophenyl)-3-(2-phenoxy-4-pyrimidinyl)-5-isoxazolone IUPAC Name: N-ethylethanamine; 2-ethyl-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one Traditional Name: diethylamine; 2-ethyl-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-3-isoxazolin-5-one Formula: C25H27FN4O3 MolecularWeight: 450.505283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CCN1C(=C(C(=O)O1)C2=CC=C(C=C2)F)C3=NC(=NC=C3)OC4=CC=CC=C4

Isomeric SMILES

CCNCC.CCN1C(=C(C(=O)O1)C2=CC=C(C=C2)F)C3=NC(=NC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C21H16FN3O3.C4H11N/c1-2-25-19(18(20(26)28-25)14-8-10-15(22)11-9-14)17-12-13-23-21(24-17)27-16-6-4-3-5-7-16;1-3-5-4-2/h3-13H,2H2,1H3;5H,3-4H2,1-2H3