7-[4-[(E)-N'-[C-[4-(3-carboxy-1-ethyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)piperazin-1-yl]carbonimidoyl]carbamimidoyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-[(E)-N'-[C-[4-(3-carboxy-1-ethyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)piperazin-1-yl]carbonimidoyl]carbamimidoyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[(E)-N'-[4-(3-carboxy-1-ethyl-6-fluoro-4-oxo-7-quinolyl)piperazine-1-carboximidoyl]carbamimidoyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[(E)-amino-[[4-(3-carboxy-1-ethyl-6-fluoro-4-oxo-7-quinolinyl)-1-piperazinyl]-iminomethyl]iminomethyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-[(E)-N'-[4-(3-carboxy-1-ethyl-6-fluoro-4-oxoquinolin-7-yl)piperazine-1-carboximidoyl]carbamimidoyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[(E)-N'-[4-(3-carboxy-1-ethyl-6-fluoro-4-keto-7-quinolyl)piperazine-1-carboximidoyl]amidino]piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C34H37F2N9O6 MolecularWeight: 705.711086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=NC(=N)N4CCN(CC4)C5=C(C=C6C(=C5)N(C=C(C6=O)C(=O)O)CC)F)N)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)/C(=N/C(=N)N4CCN(CC4)C5=C(C=C6C(=C5)N(C=C(C6=O)C(=O)O)CC)F)/N)F)C(=O)O

InChI

InChI=1S/C34H37F2N9O6/c1-3-40-17-21(31(48)49)29(46)19-13-23(35)27(15-25(19)40)42-5-9-44(10-6-42)33(37)39-34(38)45-11-7-43(8-12-45)28-16-26-20(14-24(28)36)30(47)22(32(50)51)18-41(26)4-2/h13-18H,3-12H2,1-2H3,(H,48,49)(H,50,51)(H3,37,38,39)