2-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]carbonylpyrazol-1-yl]ethanoic acid

Systemtic Name: 2-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]carbonylpyrazol-1-yl]ethanoic acid Openeye Name: 2-[4-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]acetic acid CAS Name: 2-[4-[[4-[(3-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-1-pyrazolyl]acetic acid IUPAC Name: 2-[4-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]acetic acid Traditional Name: 2-[4-[4-(3-fluorobenzyl)piperazine-1-carbonyl]pyrazol-1-yl]acetic acid Formula: C17H19FN4O3 MolecularWeight: 346.356163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)F)C(=O)C3=CN(N=C3)CC(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)F)C(=O)C3=CN(N=C3)CC(=O)O

InChI

InChI=1S/C17H19FN4O3/c18-15-3-1-2-13(8-15)10-20-4-6-21(7-5-20)17(25)14-9-19-22(11-14)12-16(23)24/h1-3,8-9,11H,4-7,10,12H2,(H,23,24)