7-[4-(2-azanyl-3-oxidanyl-butanoyl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(2-azanyl-3-oxidanyl-butanoyl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(2-amino-3-hydroxy-butanoyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(2-amino-3-hydroxy-1-oxobutyl)-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(2-amino-3-hydroxybutanoyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(2-amino-3-hydroxy-butanoyl)piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H25FN4O5 MolecularWeight: 432.445403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)N)O

Isomeric SMILES

CC(C(C(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)N)O

InChI

InChI=1S/C21H25FN4O5/c1-11(27)18(23)20(29)25-6-4-24(5-7-25)17-9-16-13(8-15(17)22)19(28)14(21(30)31)10-26(16)12-2-3-12/h8-12,18,27H,2-7,23H2,1H3,(H,30,31)