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

Systemtic Name: 5-azanyl-6,8-bis(fluoranyl)-1-(3-imidazol-1-ylpropyl)-7-(3-imidazol-1-ylpropylamino)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-6,8-difluoro-1-(3-imidazol-1-ylpropyl)-7-(3-imidazol-1-ylpropylamino)-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-6,8-difluoro-1-[3-(1-imidazolyl)propyl]-7-[3-(1-imidazolyl)propylamino]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-6,8-difluoro-1-(3-imidazol-1-ylpropyl)-7-(3-imidazol-1-ylpropylamino)-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-6,8-difluoro-1-(3-imidazol-1-ylpropyl)-7-(3-imidazol-1-ylpropylamino)-4-keto-quinoline-3-carboxylic acid Formula: C22H23F2N7O3 MolecularWeight: 471.459926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCCNC2=C(C3=C(C(=C2F)N)C(=O)C(=CN3CCCN4C=CN=C4)C(=O)O)F

Isomeric SMILES

C1=CN(C=N1)CCCNC2=C(C3=C(C(=C2F)N)C(=O)C(=CN3CCCN4C=CN=C4)C(=O)O)F

InChI

InChI=1S/C22H23F2N7O3/c23-16-18(25)15-20(17(24)19(16)28-3-1-6-29-9-4-26-12-29)31(11-14(21(15)32)22(33)34)8-2-7-30-10-5-27-13-30/h4-5,9-13,28H,1-3,6-8,25H2,(H,33,34)