5-(4-fluorophenyl)-1-methyl-2-(1H-pyrazol-5-yl)-4-pyridin-4-yl-piperazine-2-carboxylic acid

Systemtic Name: 5-(4-fluorophenyl)-1-methyl-2-(1H-pyrazol-5-yl)-4-pyridin-4-yl-piperazine-2-carboxylic acid Openeye Name: 5-(4-fluorophenyl)-1-methyl-2-(1H-pyrazol-5-yl)-4-(4-pyridyl)piperazine-2-carboxylic acid CAS Name: 5-(4-fluorophenyl)-1-methyl-2-(1H-pyrazol-5-yl)-4-pyridin-4-yl-2-piperazinecarboxylic acid IUPAC Name: 5-(4-fluorophenyl)-1-methyl-2-(1H-pyrazol-5-yl)-4-pyridin-4-ylpiperazine-2-carboxylic acid Traditional Name: 5-(4-fluorophenyl)-1-methyl-2-(1H-pyrazol-5-yl)-4-(4-pyridyl)piperazine-2-carboxylic acid Formula: C20H20FN5O2 MolecularWeight: 381.403503

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(N(CC1(C2=CC=NN2)C(=O)O)C3=CC=NC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CN1CC(N(CC1(C2=CC=NN2)C(=O)O)C3=CC=NC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H20FN5O2/c1-25-12-17(14-2-4-15(21)5-3-14)26(16-6-9-22-10-7-16)13-20(25,19(27)28)18-8-11-23-24-18/h2-11,17H,12-13H2,1H3,(H,23,24)(H,27,28)