7-(2-azanyloctylamino)-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(2-azanyloctylamino)-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(2-aminooctylamino)-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(2-aminooctylamino)-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(2-aminooctylamino)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(2-aminooctylamino)-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H28FN3O3 MolecularWeight: 389.463723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CNC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F)N

Isomeric SMILES

CCCCCCC(CNC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F)N

InChI

InChI=1S/C21H28FN3O3/c1-2-3-4-5-6-13(23)11-24-18-10-19-15(9-17(18)22)20(26)16(21(27)28)12-25(19)14-7-8-14/h9-10,12-14,24H,2-8,11,23H2,1H3,(H,27,28)