5-azanyl-8-chloranyl-1-ethyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-8-chloranyl-1-ethyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 5-amino-8-chloro-1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 5-amino-8-chloro-1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 5-amino-8-chloro-1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 5-amino-8-chloro-1-ethyl-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C16H18ClFN4O3 MolecularWeight: 368.790523

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C(=C(C(=C2N)F)N3CCNCC3)Cl)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C(=C(C(=C2N)F)N3CCNCC3)Cl)C(=O)O

InChI

InChI=1S/C16H18ClFN4O3/c1-2-21-7-8(16(24)25)15(23)9-12(19)11(18)14(10(17)13(9)21)22-5-3-20-4-6-22/h7,20H,2-6,19H2,1H3,(H,24,25)