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

Systemtic Name: 1-[[4-cyano-4-[5-(trifluoromethyl)pyridin-2-yl]piperidin-1-yl]methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 1-[[4-cyano-4-[5-(trifluoromethyl)-2-pyridyl]-1-piperidyl]methyl]-4-oxo-quinolizine-3-carboxylic acid CAS Name: 1-[[4-cyano-4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperidinyl]methyl]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 1-[[4-cyano-4-[5-(trifluoromethyl)pyridin-2-yl]piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 1-[[4-cyano-4-[5-(trifluoromethyl)-2-pyridyl]piperidino]methyl]-4-keto-quinolizine-3-carboxylic acid Formula: C23H19F3N4O3 MolecularWeight: 456.41717

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19F3N4O3/c24-23(25,26)16-4-5-19(28-12-16)22(14-27)6-9-29(10-7-22)13-15-11-17(21(32)33)20(31)30-8-2-1-3-18(15)30/h1-5,8,11-12H,6-7,9-10,13H2,(H,32,33)