4-[4-(4-fluorophenyl)-2-methyl-3-oxidanylidene-5-(2-phenoxypyrimidin-4-yl)pyrazol-1-yl]piperidine-1-carboxylic acid

Systemtic Name: 4-[4-(4-fluorophenyl)-2-methyl-3-oxidanylidene-5-(2-phenoxypyrimidin-4-yl)pyrazol-1-yl]piperidine-1-carboxylic acid Openeye Name: 4-[4-(4-fluorophenyl)-2-methyl-3-oxo-5-(2-phenoxypyrimidin-4-yl)pyrazol-1-yl]piperidine-1-carboxylic acid CAS Name: 4-[4-(4-fluorophenyl)-2-methyl-3-oxo-5-(2-phenoxy-4-pyrimidinyl)-1-pyrazolyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[4-(4-fluorophenyl)-2-methyl-3-oxo-5-(2-phenoxypyrimidin-4-yl)pyrazol-1-yl]piperidine-1-carboxylic acid Traditional Name: 4-[4-(4-fluorophenyl)-3-keto-2-methyl-5-(2-phenoxypyrimidin-4-yl)-3-pyrazolin-1-yl]piperidine-1-carboxylic acid Formula: C26H24FN5O4 MolecularWeight: 489.498263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N1C2CCN(CC2)C(=O)O)C3=NC(=NC=C3)OC4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

CN1C(=O)C(=C(N1C2CCN(CC2)C(=O)O)C3=NC(=NC=C3)OC4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H24FN5O4/c1-30-24(33)22(17-7-9-18(27)10-8-17)23(32(30)19-12-15-31(16-13-19)26(34)35)21-11-14-28-25(29-21)36-20-5-3-2-4-6-20/h2-11,14,19H,12-13,15-16H2,1H3,(H,34,35)