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

Systemtic Name: 3-[3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonylpyrazol-1-yl]propanoic acid Openeye Name: 3-[3-[4-(2-thienylmethyl)piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[3-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[3-[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=NN(C=C3)CCC(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C(=O)C3=NN(C=C3)CCC(=O)O

InChI

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