2-[4-(5-cyano-6-methyl-pyridin-2-yl)carbonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(5-cyano-6-methyl-pyridin-2-yl)carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(5-cyano-6-methyl-pyridine-2-carbonyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[(5-cyano-6-methyl-2-pyridinyl)-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(5-cyano-6-methylpyridine-2-carbonyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(5-cyano-6-methyl-picolinoyl)piperazino]acetic acid Formula: C14H16N4O3 MolecularWeight: 288.30184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)C(=O)N2CCN(CC2)CC(=O)O)C#N

Isomeric SMILES

CC1=C(C=CC(=N1)C(=O)N2CCN(CC2)CC(=O)O)C#N

InChI

InChI=1S/C14H16N4O3/c1-10-11(8-15)2-3-12(16-10)14(21)18-6-4-17(5-7-18)9-13(19)20/h2-3H,4-7,9H2,1H3,(H,19,20)