6-cyclopropyl-5-fluoranyl-9-oxidanylidene-4-piperazin-1-yl-2H-[1,2,3]triazolo[4,5-f]quinoline-8-carboxylic acid

Systemtic Name: 6-cyclopropyl-5-fluoranyl-9-oxidanylidene-4-piperazin-1-yl-2H-[1,2,3]triazolo[4,5-f]quinoline-8-carboxylic acid Openeye Name: 6-cyclopropyl-5-fluoro-9-oxo-4-piperazin-1-yl-2H-triazolo[4,5-f]quinoline-8-carboxylic acid CAS Name: 6-cyclopropyl-5-fluoro-9-oxo-4-(1-piperazinyl)-2H-triazolo[4,5-f]quinoline-8-carboxylic acid IUPAC Name: 6-cyclopropyl-5-fluoro-9-oxo-4-piperazin-1-yl-2H-triazolo[4,5-f]quinoline-8-carboxylic acid Traditional Name: 6-cyclopropyl-5-fluoro-9-keto-4-piperazino-2H-triazolo[4,5-f]quinoline-8-carboxylic acid Formula: C17H17FN6O3 MolecularWeight: 372.353683

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C2C(=C(C4=NNN=C34)N5CCNCC5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C2C(=C(C4=NNN=C34)N5CCNCC5)F)C(=O)O

InChI

InChI=1S/C17H17FN6O3/c18-11-14-10(16(25)9(17(26)27)7-24(14)8-1-2-8)12-13(21-22-20-12)15(11)23-5-3-19-4-6-23/h7-8,19H,1-6H2,(H,26,27)(H,20,21,22)