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

Systemtic Name: 3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonylpyrazine-2-carboxylic acid Openeye Name: 3-[4-(4-pyridylmethyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid CAS Name: 3-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid Traditional Name: 3-[4-(4-pyridylmethyl)piperazine-1-carbonyl]pyrazinoic acid Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)C(=O)C3=NC=CN=C3C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)C(=O)C3=NC=CN=C3C(=O)O

InChI

InChI=1S/C16H17N5O3/c22-15(13-14(16(23)24)19-6-5-18-13)21-9-7-20(8-10-21)11-12-1-3-17-4-2-12/h1-6H,7-11H2,(H,23,24)