5-(4-fluorophenyl)-2-[1-(6-methoxypyridin-3-yl)pyrazol-3-yl]carbonyl-piperazine-1-carboxylic acid

Systemtic Name: 5-(4-fluorophenyl)-2-[1-(6-methoxypyridin-3-yl)pyrazol-3-yl]carbonyl-piperazine-1-carboxylic acid Openeye Name: 5-(4-fluorophenyl)-2-[1-(6-methoxy-3-pyridyl)pyrazole-3-carbonyl]piperazine-1-carboxylic acid CAS Name: 5-(4-fluorophenyl)-2-[[1-(6-methoxy-3-pyridinyl)-3-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid IUPAC Name: 5-(4-fluorophenyl)-2-[1-(6-methoxypyridin-3-yl)pyrazole-3-carbonyl]piperazine-1-carboxylic acid Traditional Name: 5-(4-fluorophenyl)-2-[1-(6-methoxy-3-pyridyl)pyrazole-3-carbonyl]piperazine-1-carboxylic acid Formula: C21H20FN5O4 MolecularWeight: 425.413003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)N2C=CC(=N2)C(=O)C3CNC(CN3C(=O)O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=NC=C(C=C1)N2C=CC(=N2)C(=O)C3CNC(CN3C(=O)O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H20FN5O4/c1-31-19-7-6-15(10-24-19)27-9-8-16(25-27)20(28)18-11-23-17(12-26(18)21(29)30)13-2-4-14(22)5-3-13/h2-10,17-18,23H,11-12H2,1H3,(H,29,30)