6-chloranyl-8-fluoranyl-1-(2-fluoranylcyclopropyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-8-fluoranyl-1-(2-fluoranylcyclopropyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 6-chloro-8-fluoro-1-(2-fluorocyclopropyl)-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 6-chloro-8-fluoro-1-(2-fluorocyclopropyl)-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-8-fluoro-1-(2-fluorocyclopropyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 6-chloro-8-fluoro-1-(2-fluorocyclopropyl)-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C17H16ClF2N3O3 MolecularWeight: 383.777046

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4F)Cl

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4F)Cl

InChI

InChI=1S/C17H16ClF2N3O3/c18-10-5-8-14(13(20)15(10)22-3-1-21-2-4-22)23(12-6-11(12)19)7-9(16(8)24)17(25)26/h5,7,11-12,21H,1-4,6H2,(H,25,26)