6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-1-(prop-2-enylamino)quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-1-(prop-2-enylamino)quinoline-3-carboxylic acid Openeye Name: 1-(allylamino)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-1-(prop-2-enylamino)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(prop-2-enylamino)quinoline-3-carboxylic acid Traditional Name: 1-(allylamino)-6-fluoro-4-keto-7-(4-methylpiperazino)quinoline-3-carboxylic acid Formula: C18H21FN4O3 MolecularWeight: 360.382743

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)NCC=C)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)NCC=C)F

InChI

InChI=1S/C18H21FN4O3/c1-3-4-20-23-11-13(18(25)26)17(24)12-9-14(19)16(10-15(12)23)22-7-5-21(2)6-8-22/h3,9-11,20H,1,4-8H2,2H3,(H,25,26)