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

Systemtic Name: 1-[[4-cyano-4-(5-cyanopyridin-2-yl)piperidin-1-yl]methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 1-[[4-cyano-4-(5-cyano-2-pyridyl)-1-piperidyl]methyl]-4-oxo-quinolizine-3-carboxylic acid CAS Name: 1-[[4-cyano-4-(5-cyano-2-pyridinyl)-1-piperidinyl]methyl]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 1-[[4-cyano-4-(5-cyanopyridin-2-yl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 1-[[4-cyano-4-(5-cyano-2-pyridyl)piperidino]methyl]-4-keto-quinolizine-3-carboxylic acid Formula: C23H19N5O3 MolecularWeight: 413.42866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N5O3/c24-12-16-4-5-20(26-13-16)23(15-25)6-9-27(10-7-23)14-17-11-18(22(30)31)21(29)28-8-2-1-3-19(17)28/h1-5,8,11,13H,6-7,9-10,14H2,(H,30,31)