5-azanylidene-1-ethyl-6-fluoranyl-2-(2-methylpiperazin-1-yl)-7-[(E)-oct-6-en-2-yl]-4-oxidanylidene-6H-quinoline-3-carboxylic acid

Systemtic Name: 5-azanylidene-1-ethyl-6-fluoranyl-2-(2-methylpiperazin-1-yl)-7-[(E)-oct-6-en-2-yl]-4-oxidanylidene-6H-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-5-imino-7-[(E)-1-methylhept-5-enyl]-2-(2-methylpiperazin-1-yl)-4-oxo-6H-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-5-imino-2-(2-methyl-1-piperazinyl)-7-[(E)-oct-6-en-2-yl]-4-oxo-6H-quinoline-3-carboxylic acid IUPAC Name: 1-ethyl-6-fluoro-5-imino-2-(2-methylpiperazin-1-yl)-7-[(E)-oct-6-en-2-yl]-4-oxo-6H-quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-5-imino-4-keto-7-[(E)-1-methylhept-5-enyl]-2-(2-methylpiperazino)-6H-quinoline-3-carboxylic acid Formula: C25H35FN4O3 MolecularWeight: 458.568803

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=N)C(C(=C2)C(C)CCCC=CC)F)C(=O)C(=C1N3CCNCC3C)C(=O)O

Isomeric SMILES

CCN1C2=C(C(=N)C(C(=C2)C(C)CCC/C=C/C)F)C(=O)C(=C1N3CCNCC3C)C(=O)O

InChI

InChI=1S/C25H35FN4O3/c1-5-7-8-9-10-15(3)17-13-18-19(22(27)21(17)26)23(31)20(25(32)33)24(29(18)6-2)30-12-11-28-14-16(30)4/h5,7,13,15-16,21,27-28H,6,8-12,14H2,1-4H3,(H,32,33)/b7-5+,27-22?