5-azanyl-6-fluoranyl-4-oxidanylidene-1-phenethyl-7-[2-(pyridin-2-ylamino)ethylamino]quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-6-fluoranyl-4-oxidanylidene-1-phenethyl-7-[2-(pyridin-2-ylamino)ethylamino]quinoline-3-carboxylic acid Openeye Name: 5-amino-6-fluoro-4-oxo-1-phenethyl-7-[2-(2-pyridylamino)ethylamino]quinoline-3-carboxylic acid CAS Name: 5-amino-6-fluoro-4-oxo-1-phenethyl-7-[2-(2-pyridinylamino)ethylamino]-3-quinolinecarboxylic acid IUPAC Name: 5-amino-6-fluoro-4-oxo-1-phenethyl-7-[2-(pyridin-2-ylamino)ethylamino]quinoline-3-carboxylic acid Traditional Name: 5-amino-6-fluoro-4-keto-1-phenethyl-7-[2-(2-pyridylamino)ethylamino]quinoline-3-carboxylic acid Formula: C25H24FN5O3 MolecularWeight: 461.488163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C=C(C(=O)C3=C(C(=C(C=C32)NCCNC4=CC=CC=N4)F)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C=C(C(=O)C3=C(C(=C(C=C32)NCCNC4=CC=CC=N4)F)N)C(=O)O

InChI

InChI=1S/C25H24FN5O3/c26-22-18(28-11-12-30-20-8-4-5-10-29-20)14-19-21(23(22)27)24(32)17(25(33)34)15-31(19)13-9-16-6-2-1-3-7-16/h1-8,10,14-15,28H,9,11-13,27H2,(H,29,30)(H,33,34)