5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonyl-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonyl-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[4-[(4-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[4-(4-fluorobenzyl)piperazine-1-carbonyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C17H19FN4O3 MolecularWeight: 346.356163

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C17H19FN4O3/c1-20-15(14(10-19-20)17(24)25)16(23)22-8-6-21(7-9-22)11-12-2-4-13(18)5-3-12/h2-5,10H,6-9,11H2,1H3,(H,24,25)