1-cyclopropyl-6-fluoranyl-8-(hydroxymethyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-8-(hydroxymethyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-8-(hydroxymethyl)-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-8-(hydroxymethyl)-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-8-(hydroxymethyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-8-methylol-7-piperazino-quinoline-3-carboxylic acid Formula: C18H20FN3O4 MolecularWeight: 361.367503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20FN3O4/c19-14-7-11-15(13(9-23)16(14)21-5-3-20-4-6-21)22(10-1-2-10)8-12(17(11)24)18(25)26/h7-8,10,20,23H,1-6,9H2,(H,25,26)