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

Systemtic Name: 7-[4-(6-chloranylpyrazin-2-yl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(6-chloro-2-pyrazinyl)-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(6-chloropyrazin-2-yl)piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H19ClFN5O3 MolecularWeight: 443.858663

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C5=CN=CC(=N5)Cl)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C5=CN=CC(=N5)Cl)F)C(=O)O

InChI

InChI=1S/C21H19ClFN5O3/c22-18-9-24-10-19(25-18)27-5-3-26(4-6-27)17-8-16-13(7-15(17)23)20(29)14(21(30)31)11-28(16)12-1-2-12/h7-12H,1-6H2,(H,30,31)