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

Systemtic Name: 2-[[7-(cyclohexylamino)-6-fluoranyl-4-oxidanylidene-1-pentan-3-yl-cinnolin-3-yl]carbonylamino]ethylphosphonic acid Openeye Name: 2-[[7-(cyclohexylamino)-1-(1-ethylpropyl)-6-fluoro-4-oxo-cinnoline-3-carbonyl]amino]ethylphosphonic acid CAS Name: 2-[[[7-(cyclohexylamino)-6-fluoro-4-oxo-1-pentan-3-yl-3-cinnolinyl]-oxomethyl]amino]ethylphosphonic acid IUPAC Name: 2-[[7-(cyclohexylamino)-6-fluoro-4-oxo-1-pentan-3-ylcinnoline-3-carbonyl]amino]ethylphosphonic acid Traditional Name: 2-[[7-(cyclohexylamino)-1-(1-ethylpropyl)-6-fluoro-4-keto-cinnoline-3-carbonyl]amino]ethylphosphonic acid Formula: C22H32FN4O5P MolecularWeight: 482.485444

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C2=CC(=C(C=C2C(=O)C(=N1)C(=O)NCCP(=O)(O)O)F)NC3CCCCC3

Isomeric SMILES

CCC(CC)N1C2=CC(=C(C=C2C(=O)C(=N1)C(=O)NCCP(=O)(O)O)F)NC3CCCCC3

InChI

InChI=1S/C22H32FN4O5P/c1-3-15(4-2)27-19-13-18(25-14-8-6-5-7-9-14)17(23)12-16(19)21(28)20(26-27)22(29)24-10-11-33(30,31)32/h12-15,25H,3-11H2,1-2H3,(H,24,29)(H2,30,31,32)