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

Systemtic Name: 1-[(4-cyano-4-pyridin-3-yl-piperidin-1-yl)methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 1-[[4-cyano-4-(3-pyridyl)-1-piperidyl]methyl]-4-oxo-quinolizine-3-carboxylic acid CAS Name: 1-[[4-cyano-4-(3-pyridinyl)-1-piperidinyl]methyl]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 1-[(4-cyano-4-pyridin-3-ylpiperidin-1-yl)methyl]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 1-[[4-cyano-4-(3-pyridyl)piperidino]methyl]-4-keto-quinolizine-3-carboxylic acid Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O3/c23-15-22(17-4-3-8-24-13-17)6-10-25(11-7-22)14-16-12-18(21(28)29)20(27)26-9-2-1-5-19(16)26/h1-5,8-9,12-13H,6-7,10-11,14H2,(H,28,29)