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

Systemtic Name: 1-[[4-(5-chloranylpyridin-2-yl)-4-cyano-piperidin-1-yl]methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 1-[[4-(5-chloro-2-pyridyl)-4-cyano-1-piperidyl]methyl]-4-oxo-quinolizine-3-carboxylic acid CAS Name: 1-[[4-(5-chloro-2-pyridinyl)-4-cyano-1-piperidinyl]methyl]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 1-[[4-(5-chloropyridin-2-yl)-4-cyanopiperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 1-[[4-(5-chloro-2-pyridyl)-4-cyano-piperidino]methyl]-4-keto-quinolizine-3-carboxylic acid Formula: C22H19ClN4O3 MolecularWeight: 422.86426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN4O3/c23-16-4-5-19(25-12-16)22(14-24)6-9-26(10-7-22)13-15-11-17(21(29)30)20(28)27-8-2-1-3-18(15)27/h1-5,8,11-12H,6-7,9-10,13H2,(H,29,30)