5-azanyl-6,8-bis(fluoranyl)-4-oxidanylidene-1-phenethyl-7-[2-(pyridin-2-ylamino)ethylamino]quinoline-2-carboxylic acid

Systemtic Name: 5-azanyl-6,8-bis(fluoranyl)-4-oxidanylidene-1-phenethyl-7-[2-(pyridin-2-ylamino)ethylamino]quinoline-2-carboxylic acid Openeye Name: 5-amino-6,8-difluoro-4-oxo-1-phenethyl-7-[2-(2-pyridylamino)ethylamino]quinoline-2-carboxylic acid CAS Name: 5-amino-6,8-difluoro-4-oxo-1-phenethyl-7-[2-(2-pyridinylamino)ethylamino]-2-quinolinecarboxylic acid IUPAC Name: 5-amino-6,8-difluoro-4-oxo-1-phenethyl-7-[2-(pyridin-2-ylamino)ethylamino]quinoline-2-carboxylic acid Traditional Name: 5-amino-6,8-difluoro-4-keto-1-phenethyl-7-[2-(2-pyridylamino)ethylamino]quinaldic acid Formula: C25H23F2N5O3 MolecularWeight: 479.478626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=CC(=O)C3=C2C(=C(C(=C3N)F)NCCNC4=CC=CC=N4)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=CC(=O)C3=C2C(=C(C(=C3N)F)NCCNC4=CC=CC=N4)F)C(=O)O

InChI

InChI=1S/C25H23F2N5O3/c26-20-22(28)19-17(33)14-16(25(34)35)32(13-9-15-6-2-1-3-7-15)24(19)21(27)23(20)31-12-11-30-18-8-4-5-10-29-18/h1-8,10,14,31H,9,11-13,28H2,(H,29,30)(H,34,35)