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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)CC2=C(C3=CC=CC=C3N=C2C4=CC=C(C=C4)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CN(CC(=O)N1)CC2=C(C3=CC=CC=C3N=C2C4=CC=C(C=C4)C(F)(F)F)C(=O)O

InChI

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