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

Systemtic Name: 5-azanyl-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 5-amino-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 5-amino-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 5-amino-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 5-amino-8-chloro-1-cyclopropyl-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C17H18ClFN4O3 MolecularWeight: 380.801223

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)N4CCNCC4)Cl)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)N4CCNCC4)Cl)C(=O)O

InChI

InChI=1S/C17H18ClFN4O3/c18-11-14-10(13(20)12(19)15(11)22-5-3-21-4-6-22)16(24)9(17(25)26)7-23(14)8-1-2-8/h7-8,21H,1-6,20H2,(H,25,26)