4-(4-fluorophenyl)-2-methyl-5-(2-phenoxypyrimidin-4-yl)-1-(phenylmethyl)pyrazol-3-one

Systemtic Name: 4-(4-fluorophenyl)-2-methyl-5-(2-phenoxypyrimidin-4-yl)-1-(phenylmethyl)pyrazol-3-one Openeye Name: 1-benzyl-4-(4-fluorophenyl)-2-methyl-5-(2-phenoxypyrimidin-4-yl)pyrazol-3-one CAS Name: 4-(4-fluorophenyl)-2-methyl-5-(2-phenoxy-4-pyrimidinyl)-1-(phenylmethyl)-3-pyrazolone IUPAC Name: 1-benzyl-4-(4-fluorophenyl)-2-methyl-5-(2-phenoxypyrimidin-4-yl)pyrazol-3-one Traditional Name: 1-benzyl-4-(4-fluorophenyl)-2-methyl-5-(2-phenoxypyrimidin-4-yl)-3-pyrazolin-3-one Formula: C27H21FN4O2 MolecularWeight: 452.479643

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N1CC2=CC=CC=C2)C3=NC(=NC=C3)OC4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

CN1C(=O)C(=C(N1CC2=CC=CC=C2)C3=NC(=NC=C3)OC4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H21FN4O2/c1-31-26(33)24(20-12-14-21(28)15-13-20)25(32(31)18-19-8-4-2-5-9-19)23-16-17-29-27(30-23)34-22-10-6-3-7-11-22/h2-17H,18H2,1H3