3-[4-(4-cyanopyridin-2-yl)piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(4-cyanopyridin-2-yl)piperazin-1-yl]propanoic acid Openeye Name: 3-[4-(4-cyano-2-pyridyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-(4-cyano-2-pyridinyl)-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(4-cyanopyridin-2-yl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(4-cyano-2-pyridyl)piperazino]propionic acid Formula: C13H16N4O2 MolecularWeight: 260.29174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)C2=NC=CC(=C2)C#N

Isomeric SMILES

C1CN(CCN1CCC(=O)O)C2=NC=CC(=C2)C#N

InChI

InChI=1S/C13H16N4O2/c14-10-11-1-3-15-12(9-11)17-7-5-16(6-8-17)4-2-13(18)19/h1,3,9H,2,4-8H2,(H,18,19)