3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonylpyrazine-2-carboxylic acid

Systemtic Name: 3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonylpyrazine-2-carboxylic acid Openeye Name: 3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]pyrazine-2-carboxylic acid CAS Name: 3-[oxo-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl]pyrazine-2-carboxylic acid Traditional Name: 3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]pyrazinoic acid Formula: C16H14F3N5O3 MolecularWeight: 381.30927

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)C3=NC=CN=C3C(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)C3=NC=CN=C3C(=O)O

InChI

InChI=1S/C16H14F3N5O3/c17-16(18,19)10-1-2-11(22-9-10)23-5-7-24(8-6-23)14(25)12-13(15(26)27)21-4-3-20-12/h1-4,9H,5-8H2,(H,26,27)