4-[4-(2,3-dihydropyridin-4-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1-methyl-piperazine-2-carboxylic acid

Systemtic Name: 4-[4-(2,3-dihydropyridin-4-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1-methyl-piperazine-2-carboxylic acid Openeye Name: 4-[4-(2,3-dihydropyridin-4-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1-methyl-piperazine-2-carboxylic acid CAS Name: 4-[4-(2,3-dihydropyridin-4-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1-methyl-2-piperazinecarboxylic acid IUPAC Name: 4-[4-(2,3-dihydropyridin-4-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1-methylpiperazine-2-carboxylic acid Traditional Name: 4-[4-(2,3-dihydropyridin-4-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1-methyl-piperazine-2-carboxylic acid Formula: C20H22FN5O2 MolecularWeight: 383.419383

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1C(=O)O)C2=NNC(=C2C3=CC=NCC3)C4=CC=C(C=C4)F

Isomeric SMILES

CN1CCN(CC1C(=O)O)C2=NNC(=C2C3=CC=NCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H22FN5O2/c1-25-10-11-26(12-16(25)20(27)28)19-17(13-6-8-22-9-7-13)18(23-24-19)14-2-4-15(21)5-3-14/h2-6,8,16H,7,9-12H2,1H3,(H,23,24)(H,27,28)