1-[[4-cyano-4-(6-fluoranylpyridin-2-yl)piperidin-1-yl]methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 1-[[4-cyano-4-(6-fluoranylpyridin-2-yl)piperidin-1-yl]methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 1-[[4-cyano-4-(6-fluoro-2-pyridyl)-1-piperidyl]methyl]-4-oxo-quinolizine-3-carboxylic acid CAS Name: 1-[[4-cyano-4-(6-fluoro-2-pyridinyl)-1-piperidinyl]methyl]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 1-[[4-cyano-4-(6-fluoropyridin-2-yl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 1-[[4-cyano-4-(6-fluoro-2-pyridyl)piperidino]methyl]-4-keto-quinolizine-3-carboxylic acid Formula: C22H19FN4O3 MolecularWeight: 406.409663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=NC(=CC=C2)F)CC3=C4C=CC=CN4C(=O)C(=C3)C(=O)O

Isomeric SMILES

C1CN(CCC1(C#N)C2=NC(=CC=C2)F)CC3=C4C=CC=CN4C(=O)C(=C3)C(=O)O

InChI

InChI=1S/C22H19FN4O3/c23-19-6-3-5-18(25-19)22(14-24)7-10-26(11-8-22)13-15-12-16(21(29)30)20(28)27-9-2-1-4-17(15)27/h1-6,9,12H,7-8,10-11,13H2,(H,29,30)