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

Systemtic Name: 5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-(5-oxidanylidene-1,4-diazepan-1-yl)quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-(5-oxo-1,4-diazepan-1-yl)quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-(5-oxo-1,4-diazepan-1-yl)-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-(5-oxo-1,4-diazepan-1-yl)quinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-keto-7-(5-keto-1,4-diazepan-1-yl)quinoline-3-carboxylic acid Formula: C18H18F2N4O4 MolecularWeight: 392.356726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)N4CCC(=O)NCC4)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)N4CCC(=O)NCC4)F)C(=O)O

InChI

InChI=1S/C18H18F2N4O4/c19-12-14(21)11-15(13(20)16(12)23-5-3-10(25)22-4-6-23)24(8-1-2-8)7-9(17(11)26)18(27)28/h7-8H,1-6,21H2,(H,22,25)(H,27,28)