5-[2-(3-ethanoylphenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1,2-dihydropyrazol-3-one

Systemtic Name: 5-[2-(3-ethanoylphenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1,2-dihydropyrazol-3-one Openeye Name: 5-[2-(3-acetylphenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1,2-dihydropyrazol-3-one CAS Name: 5-[2-(3-acetylphenoxy)-4-pyrimidinyl]-4-(4-fluorophenyl)-1,2-dihydropyrazol-3-one IUPAC Name: 5-[2-(3-acetylphenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1,2-dihydropyrazol-3-one Traditional Name: 5-[2-(3-acetylphenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-3-pyrazolin-3-one Formula: C21H15FN4O3 MolecularWeight: 390.367203

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OC2=NC=CC(=N2)C3=C(C(=O)NN3)C4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OC2=NC=CC(=N2)C3=C(C(=O)NN3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H15FN4O3/c1-12(27)14-3-2-4-16(11-14)29-21-23-10-9-17(24-21)19-18(20(28)26-25-19)13-5-7-15(22)8-6-13/h2-11H,1H3,(H2,25,26,28)