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

Systemtic Name: 1-[[4-cyano-4-(6-methylpyridin-2-yl)piperidin-1-yl]methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 1-[[4-cyano-4-(6-methyl-2-pyridyl)-1-piperidyl]methyl]-4-oxo-quinolizine-3-carboxylic acid CAS Name: 1-[[4-cyano-4-(6-methyl-2-pyridinyl)-1-piperidinyl]methyl]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 1-[[4-cyano-4-(6-methylpyridin-2-yl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 1-[[4-cyano-4-(6-methyl-2-pyridyl)piperidino]methyl]-4-keto-quinolizine-3-carboxylic acid Formula: C23H22N4O3 MolecularWeight: 402.44578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C2(CCN(CC2)CC3=C4C=CC=CN4C(=O)C(=C3)C(=O)O)C#N

Isomeric SMILES

CC1=CC=CC(=N1)C2(CCN(CC2)CC3=C4C=CC=CN4C(=O)C(=C3)C(=O)O)C#N

InChI

InChI=1S/C23H22N4O3/c1-16-5-4-7-20(25-16)23(15-24)8-11-26(12-9-23)14-17-13-18(22(29)30)21(28)27-10-3-2-6-19(17)27/h2-7,10,13H,8-9,11-12,14H2,1H3,(H,29,30)