3-[5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylpyrazol-1-yl]propanoic acid

Systemtic Name: 3-[5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylpyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[[4-[(4-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-[4-(4-fluorobenzyl)piperazine-1-carbonyl]pyrazol-1-yl]propionic acid Formula: C18H21FN4O3 MolecularWeight: 360.382743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)F)C(=O)C3=CC=NN3CCC(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)F)C(=O)C3=CC=NN3CCC(=O)O

InChI

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