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

Systemtic Name: 5-azanyl-6,8-bis(fluoranyl)-1-(3-imidazol-1-ylpropyl)-4-oxidanylidene-7-(3-phenylpropylamino)quinoline-3-carboxylic acid Openeye Name: 5-amino-6,8-difluoro-1-(3-imidazol-1-ylpropyl)-4-oxo-7-(3-phenylpropylamino)quinoline-3-carboxylic acid CAS Name: 5-amino-6,8-difluoro-1-[3-(1-imidazolyl)propyl]-4-oxo-7-(3-phenylpropylamino)-3-quinolinecarboxylic acid IUPAC Name: 5-amino-6,8-difluoro-1-(3-imidazol-1-ylpropyl)-4-oxo-7-(3-phenylpropylamino)quinoline-3-carboxylic acid Traditional Name: 5-amino-6,8-difluoro-1-(3-imidazol-1-ylpropyl)-4-keto-7-(3-phenylpropylamino)quinoline-3-carboxylic acid Formula: C25H25F2N5O3 MolecularWeight: 481.494506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25F2N5O3/c26-19-21(28)18-23(20(27)22(19)30-9-4-8-16-6-2-1-3-7-16)32(14-17(24(18)33)25(34)35)12-5-11-31-13-10-29-15-31/h1-3,6-7,10,13-15,30H,4-5,8-9,11-12,28H2,(H,34,35)