8-bromanyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 8-bromanyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 8-bromo-1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 8-bromo-1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 8-bromo-1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 8-bromo-1-cyclopropyl-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C17H17BrFN3O3 MolecularWeight: 410.237583

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Br)N4CCNCC4)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Br)N4CCNCC4)F)C(=O)O

InChI

InChI=1S/C17H17BrFN3O3/c18-13-14-10(7-12(19)15(13)21-5-3-20-4-6-21)16(23)11(17(24)25)8-22(14)9-1-2-9/h7-9,20H,1-6H2,(H,24,25)