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

Systemtic Name: 3-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]carbonylpyrazol-1-yl]propanoic acid Openeye Name: 3-[4-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[4-[[4-[(3-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-[4-(3-fluorobenzyl)piperazine-1-carbonyl]pyrazol-1-yl]propionic acid Formula: C18H21FN4O3 MolecularWeight: 360.382743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21FN4O3/c19-16-3-1-2-14(10-16)12-21-6-8-22(9-7-21)18(26)15-11-20-23(13-15)5-4-17(24)25/h1-3,10-11,13H,4-9,12H2,(H,24,25)