3-[(3-oxidanylidenepiperazin-1-yl)methyl]-2-phenyl-6-(trifluoromethyl)quinoline-4-carboxylic acid

Systemtic Name: 3-[(3-oxidanylidenepiperazin-1-yl)methyl]-2-phenyl-6-(trifluoromethyl)quinoline-4-carboxylic acid Openeye Name: 3-[(3-oxopiperazin-1-yl)methyl]-2-phenyl-6-(trifluoromethyl)quinoline-4-carboxylic acid CAS Name: 3-[(3-oxo-1-piperazinyl)methyl]-2-phenyl-6-(trifluoromethyl)-4-quinolinecarboxylic acid IUPAC Name: 3-[(3-oxopiperazin-1-yl)methyl]-2-phenyl-6-(trifluoromethyl)quinoline-4-carboxylic acid Traditional Name: 3-[(3-ketopiperazino)methyl]-2-phenyl-6-(trifluoromethyl)cinchoninic acid Formula: C22H18F3N3O3 MolecularWeight: 429.39183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)CC2=C(N=C3C=CC(=CC3=C2C(=O)O)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC(=O)N1)CC2=C(N=C3C=CC(=CC3=C2C(=O)O)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C22H18F3N3O3/c23-22(24,25)14-6-7-17-15(10-14)19(21(30)31)16(11-28-9-8-26-18(29)12-28)20(27-17)13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,26,29)(H,30,31)