5,6-bis(azanyl)-1-cyclopropyl-8-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-2-carboxylic acid

Systemtic Name: 5,6-bis(azanyl)-1-cyclopropyl-8-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-2-carboxylic acid Openeye Name: 5,6-diamino-1-cyclopropyl-8-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-2-carboxylic acid CAS Name: 5,6-diamino-1-cyclopropyl-8-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-2-quinolinecarboxylic acid IUPAC Name: 5,6-diamino-1-cyclopropyl-8-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-2-carboxylic acid Traditional Name: 5,6-diamino-1-cyclopropyl-8-fluoro-4-keto-7-(4-methylpiperazino)quinaldic 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(=O)C=C(N3C4CC4)C(=O)O)C(=C2N)N)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C3=C(C(=O)C=C(N3C4CC4)C(=O)O)C(=C2N)N)F

InChI

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