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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-5-methyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-5-methyl-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-5-methyl-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-5-methyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-5-methyl-7-piperazino-quinoline-3-carboxylic acid Formula: C18H20FN3O3 MolecularWeight: 345.368103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1F)N3CCNCC3)N(C=C(C2=O)C(=O)O)C4CC4

Isomeric SMILES

CC1=C2C(=CC(=C1F)N3CCNCC3)N(C=C(C2=O)C(=O)O)C4CC4

InChI

InChI=1S/C18H20FN3O3/c1-10-15-13(8-14(16(10)19)21-6-4-20-5-7-21)22(11-2-3-11)9-12(17(15)23)18(24)25/h8-9,11,20H,2-7H2,1H3,(H,24,25)