2-(2-diethylaminoethyl)-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one

Systemtic Name: 2-(2-diethylaminoethyl)-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one Openeye Name: 2-(2-diethylaminoethyl)-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)isoxazol-5-one CAS Name: 2-(2-diethylaminoethyl)-4-(4-fluorophenyl)-3-(2-phenoxy-4-pyrimidinyl)-5-isoxazolone IUPAC Name: 2-(2-diethylaminoethyl)-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one Traditional Name: 2-(2-diethylaminoethyl)-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-3-isoxazolin-5-one Formula: C25H25FN4O3 MolecularWeight: 448.489403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25FN4O3/c1-3-29(4-2)16-17-30-23(22(24(31)33-30)18-10-12-19(26)13-11-18)21-14-15-27-25(28-21)32-20-8-6-5-7-9-20/h5-15H,3-4,16-17H2,1-2H3