4-oxidanylidene-1-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]quinolizine-3-carboxylic acid

Systemtic Name: 4-oxidanylidene-1-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]quinolizine-3-carboxylic acid Openeye Name: 4-oxo-1-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]quinolizine-3-carboxylic acid CAS Name: 4-oxo-1-[[4-[4-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-3-quinolizinecarboxylic acid IUPAC Name: 4-oxo-1-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]quinolizine-3-carboxylic acid Traditional Name: 4-keto-1-[[4-[4-(trifluoromethyl)phenyl]piperazino]methyl]quinolizine-3-carboxylic acid Formula: C22H20F3N3O3 MolecularWeight: 431.40771

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C3C=CC=CN3C(=O)C(=C2)C(=O)O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=C3C=CC=CN3C(=O)C(=C2)C(=O)O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H20F3N3O3/c23-22(24,25)16-4-6-17(7-5-16)27-11-9-26(10-12-27)14-15-13-18(21(30)31)20(29)28-8-2-1-3-19(15)28/h1-8,13H,9-12,14H2,(H,30,31)