6-fluoranyl-1-(1-methylcyclopropyl)-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-(1-methylcyclopropyl)-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(1-methylcyclopropyl)-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(1-methylcyclopropyl)-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(1-methylcyclopropyl)-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-1-(1-methylcyclopropyl)-7-(3-methylpiperazino)quinoline-3-carboxylic acid Formula: C19H22FN3O3 MolecularWeight: 359.394683

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4(CC4)C)F

Isomeric SMILES

CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4(CC4)C)F

InChI

InChI=1S/C19H22FN3O3/c1-11-9-22(6-5-21-11)16-8-15-12(7-14(16)20)17(24)13(18(25)26)10-23(15)19(2)3-4-19/h7-8,10-11,21H,3-6,9H2,1-2H3,(H,25,26)