7-[4-(2-chloranyl-2-cyano-ethyl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(2-chloranyl-2-cyano-ethyl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(2-chloro-2-cyano-ethyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(2-chloro-2-cyanoethyl)-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(2-chloro-2-cyanoethyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(2-chloro-2-cyano-ethyl)piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C20H20ClFN4O3 MolecularWeight: 418.849203

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC(C#N)Cl)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC(C#N)Cl)F)C(=O)O

InChI

InChI=1S/C20H20ClFN4O3/c21-12(9-23)10-24-3-5-25(6-4-24)18-8-17-14(7-16(18)22)19(27)15(20(28)29)11-26(17)13-1-2-13/h7-8,11-13H,1-6,10H2,(H,28,29)