1-[[4-cyano-4-(5-ethynylpyridin-2-yl)piperidin-1-yl]methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 1-[[4-cyano-4-(5-ethynylpyridin-2-yl)piperidin-1-yl]methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 1-[[4-cyano-4-(5-ethynyl-2-pyridyl)-1-piperidyl]methyl]-4-oxo-quinolizine-3-carboxylic acid CAS Name: 1-[[4-cyano-4-(5-ethynyl-2-pyridinyl)-1-piperidinyl]methyl]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 1-[[4-cyano-4-(5-ethynylpyridin-2-yl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 1-[[4-cyano-4-(5-ethynyl-2-pyridyl)piperidino]methyl]-4-keto-quinolizine-3-carboxylic acid Formula: C24H20N4O3 MolecularWeight: 412.4406

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CN=C(C=C1)C2(CCN(CC2)CC3=C4C=CC=CN4C(=O)C(=C3)C(=O)O)C#N

Isomeric SMILES

C#CC1=CN=C(C=C1)C2(CCN(CC2)CC3=C4C=CC=CN4C(=O)C(=C3)C(=O)O)C#N

InChI

InChI=1S/C24H20N4O3/c1-2-17-6-7-21(26-14-17)24(16-25)8-11-27(12-9-24)15-18-13-19(23(30)31)22(29)28-10-4-3-5-20(18)28/h1,3-7,10,13-14H,8-9,11-12,15H2,(H,30,31)