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

Systemtic Name: 7-[4-(N'-cyanocarbamimidoyl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(N'-cyanocarbamimidoyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[amino(cyanoimino)methyl]-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(N'-cyanocarbamimidoyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(N'-cyanoamidino)piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C19H19FN6O3 MolecularWeight: 398.390963

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=NC#N)N)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=NC#N)N)F)C(=O)O

InChI

InChI=1S/C19H19FN6O3/c20-14-7-12-15(26(11-1-2-11)9-13(17(12)27)18(28)29)8-16(14)24-3-5-25(6-4-24)19(22)23-10-21/h7-9,11H,1-6H2,(H2,22,23)(H,28,29)