5-azanyl-1-ethyl-6,8-bis(fluoranyl)-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-ethyl-6,8-bis(fluoranyl)-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-1-ethyl-6,8-difluoro-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-1-ethyl-6,8-difluoro-4-keto-7-(3-methylpiperazino)quinoline-3-carboxylic acid Formula: C17H20F2N4O3 MolecularWeight: 366.362506

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C(=C(C(=C2N)F)N3CCNC(C3)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C(=C(C(=C2N)F)N3CCNC(C3)C)F)C(=O)O

InChI

InChI=1S/C17H20F2N4O3/c1-3-22-7-9(17(25)26)16(24)10-13(20)11(18)15(12(19)14(10)22)23-5-4-21-8(2)6-23/h7-8,21H,3-6,20H2,1-2H3,(H,25,26)