5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-7-(4-methyl-5-oxidanylidene-1,4-diazepan-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-7-(4-methyl-5-oxidanylidene-1,4-diazepan-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-6,8-difluoro-7-(4-methyl-5-oxo-1,4-diazepan-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-6,8-difluoro-7-(4-methyl-5-oxo-1,4-diazepan-1-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-6,8-difluoro-7-(4-methyl-5-oxo-1,4-diazepan-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-keto-7-(5-keto-4-methyl-1,4-diazepan-1-yl)quinoline-3-carboxylic acid Formula: C19H20F2N4O4 MolecularWeight: 406.383306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CCC1=O)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)F

Isomeric SMILES

CN1CCN(CCC1=O)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)F

InChI

InChI=1S/C19H20F2N4O4/c1-23-6-7-24(5-4-11(23)26)17-13(20)15(22)12-16(14(17)21)25(9-2-3-9)8-10(18(12)27)19(28)29/h8-9H,2-7,22H2,1H3,(H,28,29)