1-ethyl-6-fluoranyl-7-[3-[(4-methylpiperazin-1-yl)methyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-[3-[(4-methylpiperazin-1-yl)methyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[3-[(4-methylpiperazin-1-yl)methyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[3-[(4-methyl-1-piperazinyl)methyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[3-[(4-methylpiperazin-1-yl)methyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[3-[(4-methylpiperazino)methyl]piperazino]quinoline-3-carboxylic acid Formula: C22H30FN5O3 MolecularWeight: 431.503703

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)CN4CCN(CC4)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)CN4CCN(CC4)C)F)C(=O)O

InChI

InChI=1S/C22H30FN5O3/c1-3-27-14-17(22(30)31)21(29)16-10-18(23)20(11-19(16)27)28-5-4-24-15(13-28)12-26-8-6-25(2)7-9-26/h10-11,14-15,24H,3-9,12-13H2,1-2H3,(H,30,31)