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

Systemtic Name: 3-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonylpyrazol-1-yl]propanoic acid Openeye Name: 3-[4-[4-(2-thienylmethyl)piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[4-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-[4-(2-thenyl)piperazine-1-carbonyl]pyrazol-1-yl]propionic acid Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)C(=O)C3=CN(N=C3)CCC(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C(=O)C3=CN(N=C3)CCC(=O)O

InChI

InChI=1S/C16H20N4O3S/c21-15(22)3-4-20-11-13(10-17-20)16(23)19-7-5-18(6-8-19)12-14-2-1-9-24-14/h1-2,9-11H,3-8,12H2,(H,21,22)