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

Systemtic Name: 8-azanyl-7-(3-azanylcyclohexyl)-6-fluoranyl-1-(4-fluorophenyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-amino-7-(3-aminocyclohexyl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-amino-7-(3-aminocyclohexyl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-amino-7-(3-aminocyclohexyl)-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-amino-7-(3-aminocyclohexyl)-6-fluoro-1-(4-fluorophenyl)-4-keto-quinoline-3-carboxylic acid Formula: C22H21F2N3O3 MolecularWeight: 413.417246

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)N)C2=C(C=C3C(=C2N)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(=C2N)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F

InChI

InChI=1S/C22H21F2N3O3/c23-12-4-6-14(7-5-12)27-10-16(22(29)30)21(28)15-9-17(24)18(19(26)20(15)27)11-2-1-3-13(25)8-11/h4-7,9-11,13H,1-3,8,25-26H2,(H,29,30)