2-[2-[4-(4-fluorophenyl)-1-methyl-pyrazol-3-yl]-2-oxidanylidene-1-piperidin-2-yl-ethyl]-1-benzofuran-3-carboxylic acid

Systemtic Name: 2-[2-[4-(4-fluorophenyl)-1-methyl-pyrazol-3-yl]-2-oxidanylidene-1-piperidin-2-yl-ethyl]-1-benzofuran-3-carboxylic acid Openeye Name: 2-[2-[4-(4-fluorophenyl)-1-methyl-pyrazol-3-yl]-2-oxo-1-(2-piperidyl)ethyl]benzofuran-3-carboxylic acid CAS Name: 2-[2-[4-(4-fluorophenyl)-1-methyl-3-pyrazolyl]-2-oxo-1-(2-piperidinyl)ethyl]-3-benzofurancarboxylic acid IUPAC Name: 2-[2-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-oxo-1-piperidin-2-ylethyl]-1-benzofuran-3-carboxylic acid Traditional Name: 2-[2-[4-(4-fluorophenyl)-1-methyl-pyrazol-3-yl]-2-keto-1-(2-piperidyl)ethyl]benzofuran-3-carboxylic acid Formula: C26H24FN3O4 MolecularWeight: 461.484863

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)C(C2CCCCN2)C3=C(C4=CC=CC=C4O3)C(=O)O)C5=CC=C(C=C5)F

Isomeric SMILES

CN1C=C(C(=N1)C(=O)C(C2CCCCN2)C3=C(C4=CC=CC=C4O3)C(=O)O)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H24FN3O4/c1-30-14-18(15-9-11-16(27)12-10-15)23(29-30)24(31)22(19-7-4-5-13-28-19)25-21(26(32)33)17-6-2-3-8-20(17)34-25/h2-3,6,8-12,14,19,22,28H,4-5,7,13H2,1H3,(H,32,33)