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

Systemtic Name: 1-[[4-cyano-4-(3-fluorophenyl)piperidin-1-yl]methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 1-[[4-cyano-4-(3-fluorophenyl)-1-piperidyl]methyl]-4-oxo-quinolizine-3-carboxylic acid CAS Name: 1-[[4-cyano-4-(3-fluorophenyl)-1-piperidinyl]methyl]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 1-[[4-cyano-4-(3-fluorophenyl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 1-[[4-cyano-4-(3-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(=CC=C2)F)CC3=C4C=CC=CN4C(=O)C(=C3)C(=O)O

Isomeric SMILES

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

InChI

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