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

Systemtic Name: 2-[3-oxidanylidene-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-oxo-3-[4-(2-pyridylmethyl)piperazin-1-yl]propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-oxo-3-[4-(2-pyridinylmethyl)-1-piperazinyl]propyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-keto-3-[4-(2-pyridylmethyl)piperazino]propyl]pyrazole-3-carboxylic acid Formula: C17H21N5O3 MolecularWeight: 343.38034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=N2)C(=O)CCN3C(=CC=N3)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=N2)C(=O)CCN3C(=CC=N3)C(=O)O

InChI

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