2-[4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-5H-1,2-oxazol-2-yl]ethanal

Systemtic Name: 2-[4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-5H-1,2-oxazol-2-yl]ethanal Openeye Name: 2-[4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-5H-isoxazol-2-yl]acetaldehyde CAS Name: 2-[4-(4-fluorophenyl)-3-(2-phenoxy-4-pyrimidinyl)-5H-isoxazol-2-yl]acetaldehyde IUPAC Name: 2-[4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-5H-1,2-oxazol-2-yl]acetaldehyde Traditional Name: 2-[4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-3-isoxazolin-2-yl]acetaldehyde Formula: C21H16FN3O3 MolecularWeight: 377.368443

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N(O1)CC=O)C2=NC(=NC=C2)OC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1C(=C(N(O1)CC=O)C2=NC(=NC=C2)OC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H16FN3O3/c22-16-8-6-15(7-9-16)18-14-27-25(12-13-26)20(18)19-10-11-23-21(24-19)28-17-4-2-1-3-5-17/h1-11,13H,12,14H2