2-[[7-(cyclohexylamino)-1-ethyl-6-fluoranyl-4-oxidanylidene-cinnolin-3-yl]carbonylamino]ethylphosphonic acid

Systemtic Name: 2-[[7-(cyclohexylamino)-1-ethyl-6-fluoranyl-4-oxidanylidene-cinnolin-3-yl]carbonylamino]ethylphosphonic acid Openeye Name: 2-[[7-(cyclohexylamino)-1-ethyl-6-fluoro-4-oxo-cinnoline-3-carbonyl]amino]ethylphosphonic acid CAS Name: 2-[[[7-(cyclohexylamino)-1-ethyl-6-fluoro-4-oxo-3-cinnolinyl]-oxomethyl]amino]ethylphosphonic acid IUPAC Name: 2-[[7-(cyclohexylamino)-1-ethyl-6-fluoro-4-oxocinnoline-3-carbonyl]amino]ethylphosphonic acid Traditional Name: 2-[[7-(cyclohexylamino)-1-ethyl-6-fluoro-4-keto-cinnoline-3-carbonyl]amino]ethylphosphonic acid Formula: C19H26FN4O5P MolecularWeight: 440.405704

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C=C2C(=O)C(=N1)C(=O)NCCP(=O)(O)O)F)NC3CCCCC3

Isomeric SMILES

CCN1C2=CC(=C(C=C2C(=O)C(=N1)C(=O)NCCP(=O)(O)O)F)NC3CCCCC3

InChI

InChI=1S/C19H26FN4O5P/c1-2-24-16-11-15(22-12-6-4-3-5-7-12)14(20)10-13(16)18(25)17(23-24)19(26)21-8-9-30(27,28)29/h10-12,22H,2-9H2,1H3,(H,21,26)(H2,27,28,29)