3-[5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]carbonylpyrazol-1-yl]propanoic acid

Systemtic Name: 3-[5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]carbonylpyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[4-(2-pyridylmethyl)piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[oxo-[4-(2-pyridinylmethyl)-1-piperazinyl]methyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-[4-(2-pyridylmethyl)piperazine-1-carbonyl]pyrazol-1-yl]propionic acid Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=N2)C(=O)C3=CC=NN3CCC(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=N2)C(=O)C3=CC=NN3CCC(=O)O

InChI

InChI=1S/C17H21N5O3/c23-16(24)5-8-22-15(4-7-19-22)17(25)21-11-9-20(10-12-21)13-14-3-1-2-6-18-14/h1-4,6-7H,5,8-13H2,(H,23,24)