5-azanyl-6,8-bis(fluoranyl)-4-oxidanylidene-1-phenethyl-7-(2-pyridin-4-ylethylamino)quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-6,8-bis(fluoranyl)-4-oxidanylidene-1-phenethyl-7-(2-pyridin-4-ylethylamino)quinoline-3-carboxylic acid Openeye Name: 5-amino-6,8-difluoro-4-oxo-1-phenethyl-7-[2-(4-pyridyl)ethylamino]quinoline-3-carboxylic acid CAS Name: 5-amino-6,8-difluoro-4-oxo-1-phenethyl-7-(2-pyridin-4-ylethylamino)-3-quinolinecarboxylic acid IUPAC Name: 5-amino-6,8-difluoro-4-oxo-1-phenethyl-7-(2-pyridin-4-ylethylamino)quinoline-3-carboxylic acid Traditional Name: 5-amino-6,8-difluoro-4-keto-1-phenethyl-7-[2-(4-pyridyl)ethylamino]quinoline-3-carboxylic acid Formula: C25H22F2N4O3 MolecularWeight: 464.463986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C=C(C(=O)C3=C2C(=C(C(=C3N)F)NCCC4=CC=NC=C4)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C=C(C(=O)C3=C2C(=C(C(=C3N)F)NCCC4=CC=NC=C4)F)C(=O)O

InChI

InChI=1S/C25H22F2N4O3/c26-19-21(28)18-23(20(27)22(19)30-12-8-16-6-10-29-11-7-16)31(14-17(24(18)32)25(33)34)13-9-15-4-2-1-3-5-15/h1-7,10-11,14,30H,8-9,12-13,28H2,(H,33,34)