3-[4-(2-cyanoethyl)piperazin-1-yl]carbonylpyrazine-2-carboxylic acid

Systemtic Name: 3-[4-(2-cyanoethyl)piperazin-1-yl]carbonylpyrazine-2-carboxylic acid Openeye Name: 3-[4-(2-cyanoethyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid CAS Name: 3-[[4-(2-cyanoethyl)-1-piperazinyl]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[4-(2-cyanoethyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid Traditional Name: 3-[4-(2-cyanoethyl)piperazine-1-carbonyl]pyrazinoic acid Formula: C13H15N5O3 MolecularWeight: 289.2899

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C(=O)C2=NC=CN=C2C(=O)O

Isomeric SMILES

C1CN(CCN1CCC#N)C(=O)C2=NC=CN=C2C(=O)O

InChI

InChI=1S/C13H15N5O3/c14-2-1-5-17-6-8-18(9-7-17)12(19)10-11(13(20)21)16-4-3-15-10/h3-4H,1,5-9H2,(H,20,21)