2-(3-azanylcyclohexyl)-6-fluoranyl-1-(4-fluorophenyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 2-(3-azanylcyclohexyl)-6-fluoranyl-1-(4-fluorophenyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 2-(3-aminocyclohexyl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 2-(3-aminocyclohexyl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 2-(3-aminocyclohexyl)-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 2-(3-aminocyclohexyl)-6-fluoro-1-(4-fluorophenyl)-4-keto-quinoline-3-carboxylic acid Formula: C22H20F2N2O3 MolecularWeight: 398.402606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)N)C2=C(C(=O)C3=C(N2C4=CC=C(C=C4)F)C=CC(=C3)F)C(=O)O

Isomeric SMILES

C1CC(CC(C1)N)C2=C(C(=O)C3=C(N2C4=CC=C(C=C4)F)C=CC(=C3)F)C(=O)O

InChI

InChI=1S/C22H20F2N2O3/c23-13-4-7-16(8-5-13)26-18-9-6-14(24)11-17(18)21(27)19(22(28)29)20(26)12-2-1-3-15(25)10-12/h4-9,11-12,15H,1-3,10,25H2,(H,28,29)