5-azanyl-8-chloranyl-1-cyclopropyl-6-fluoranyl-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-8-chloranyl-1-cyclopropyl-6-fluoranyl-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-8-chloro-1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-8-chloro-1-cyclopropyl-6-fluoro-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-8-chloro-1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-8-chloro-1-cyclopropyl-6-fluoro-4-keto-7-(3-methylpiperazino)quinoline-3-carboxylic acid Formula: C18H20ClFN4O3 MolecularWeight: 394.827803

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)Cl

Isomeric SMILES

CC1CN(CCN1)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)Cl

InChI

InChI=1S/C18H20ClFN4O3/c1-8-6-23(5-4-22-8)16-12(19)15-11(14(21)13(16)20)17(25)10(18(26)27)7-24(15)9-2-3-9/h7-9,22H,2-6,21H2,1H3,(H,26,27)