7-(3-azanylcyclohexyl)-6-fluoranyl-1-(4-fluorophenyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(3-azanylcyclohexyl)-6-fluoranyl-1-(4-fluorophenyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(3-aminocyclohexyl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(3-aminocyclohexyl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(3-aminocyclohexyl)-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(3-aminocyclohexyl)-6-fluoro-1-(4-fluorophenyl)-4-keto-quinoline-3-carboxylic acid Formula: C22H20F2N2O3 MolecularWeight: 398.402606

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)N)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F

Isomeric SMILES

C1CC(CC(C1)N)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F

InChI

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