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

Systemtic Name: 5,6-bis(azanyl)-1-cyclopropyl-8-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5,6-diamino-1-cyclopropyl-8-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 5,6-diamino-1-cyclopropyl-8-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5,6-diamino-1-cyclopropyl-8-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 5,6-diamino-1-cyclopropyl-8-fluoro-4-keto-7-(4-methylpiperazino)quinoline-3-carboxylic acid Formula: C18H22FN5O3 MolecularWeight: 375.397383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C3=C(C(=C2N)N)C(=O)C(=CN3C4CC4)C(=O)O)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C3=C(C(=C2N)N)C(=O)C(=CN3C4CC4)C(=O)O)F

InChI

InChI=1S/C18H22FN5O3/c1-22-4-6-23(7-5-22)16-12(19)15-11(13(20)14(16)21)17(25)10(18(26)27)8-24(15)9-2-3-9/h8-9H,2-7,20-21H2,1H3,(H,26,27)