5-azanyl-6,8-bis(fluoranyl)-7-(3-imidazol-1-ylpropylamino)-4-oxidanylidene-1-phenethyl-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-6,8-bis(fluoranyl)-7-(3-imidazol-1-ylpropylamino)-4-oxidanylidene-1-phenethyl-quinoline-3-carboxylic acid Openeye Name: 5-amino-6,8-difluoro-7-(3-imidazol-1-ylpropylamino)-4-oxo-1-phenethyl-quinoline-3-carboxylic acid CAS Name: 5-amino-6,8-difluoro-7-[3-(1-imidazolyl)propylamino]-4-oxo-1-phenethyl-3-quinolinecarboxylic acid IUPAC Name: 5-amino-6,8-difluoro-7-(3-imidazol-1-ylpropylamino)-4-oxo-1-phenethylquinoline-3-carboxylic acid Traditional Name: 5-amino-6,8-difluoro-7-(3-imidazol-1-ylpropylamino)-4-keto-1-phenethyl-quinoline-3-carboxylic acid Formula: C24H23F2N5O3 MolecularWeight: 467.467926

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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)NCCCN4C=CN=C4)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C=C(C(=O)C3=C2C(=C(C(=C3N)F)NCCCN4C=CN=C4)F)C(=O)O

InChI

InChI=1S/C24H23F2N5O3/c25-18-20(27)17-22(19(26)21(18)29-8-4-10-30-12-9-28-14-30)31(13-16(23(17)32)24(33)34)11-7-15-5-2-1-3-6-15/h1-3,5-6,9,12-14,29H,4,7-8,10-11,27H2,(H,33,34)