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

Systemtic Name: 1-[[4-cyano-4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 1-[[4-cyano-4-(4-fluorophenyl)-1-piperidyl]methyl]-4-oxo-quinolizine-3-carboxylic acid CAS Name: 1-[[4-cyano-4-(4-fluorophenyl)-1-piperidinyl]methyl]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 1-[[4-cyano-4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 1-[[4-cyano-4-(4-fluorophenyl)piperidino]methyl]-4-keto-quinolizine-3-carboxylic acid Formula: C23H20FN3O3 MolecularWeight: 405.421603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20FN3O3/c24-18-6-4-17(5-7-18)23(15-25)8-11-26(12-9-23)14-16-13-19(22(29)30)21(28)27-10-2-1-3-20(16)27/h1-7,10,13H,8-9,11-12,14H2,(H,29,30)