7-[4-(N'-cyanocarbamimidoyl)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(N'-cyanocarbamimidoyl)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(N'-cyanocarbamimidoyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[amino(cyanoimino)methyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(N'-cyanocarbamimidoyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(N'-cyanoamidino)piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C18H19FN6O3 MolecularWeight: 386.380263

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=NC#N)N)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=NC#N)N)F)C(=O)O

InChI

InChI=1S/C18H19FN6O3/c1-2-23-9-12(17(27)28)16(26)11-7-13(19)15(8-14(11)23)24-3-5-25(6-4-24)18(21)22-10-20/h7-9H,2-6H2,1H3,(H2,21,22)(H,27,28)