1-[3-oxidanylidene-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[3-oxidanylidene-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propyl]pyrazole-4-carboxylic acid Openeye Name: 1-[3-oxo-3-[4-(2-thienylmethyl)piperazin-1-yl]propyl]pyrazole-4-carboxylic acid CAS Name: 1-[3-oxo-3-[4-(thiophen-2-ylmethyl)-1-piperazinyl]propyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[3-oxo-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propyl]pyrazole-4-carboxylic acid Traditional Name: 1-[3-keto-3-[4-(2-thenyl)piperazino]propyl]pyrazole-4-carboxylic acid Formula: C16H20N4O3S MolecularWeight: 348.42

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)C(=O)CCN3C=C(C=N3)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C(=O)CCN3C=C(C=N3)C(=O)O

InChI

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