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

Systemtic Name: 5-azanyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C17H19FN4O3 MolecularWeight: 346.356163

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C(C(=C(C=C32)N4CCNCC4)F)N)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C(C(=C(C=C32)N4CCNCC4)F)N)C(=O)O

InChI

InChI=1S/C17H19FN4O3/c18-14-12(21-5-3-20-4-6-21)7-11-13(15(14)19)16(23)10(17(24)25)8-22(11)9-1-2-9/h7-9,20H,1-6,19H2,(H,24,25)