2-[(2-azanylcyclohexyl)amino]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 2-[(2-azanylcyclohexyl)amino]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 2-[(2-aminocyclohexyl)amino]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 2-[(2-aminocyclohexyl)amino]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 2-[(2-aminocyclohexyl)amino]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 2-[(2-aminocyclohexyl)amino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C18H22FN3O3 MolecularWeight: 347.383983

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)F)C(=O)C(=C1NC3CCCCC3N)C(=O)O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)F)C(=O)C(=C1NC3CCCCC3N)C(=O)O

InChI

InChI=1S/C18H22FN3O3/c1-2-22-14-8-7-10(19)9-11(14)16(23)15(18(24)25)17(22)21-13-6-4-3-5-12(13)20/h7-9,12-13,21H,2-6,20H2,1H3,(H,24,25)