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

Systemtic Name: 7-[4-(2-azanyl-3-oxidanyl-butanoyl)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(2-amino-3-hydroxy-butanoyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(2-amino-3-hydroxy-1-oxobutyl)-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(2-amino-3-hydroxybutanoyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(2-amino-3-hydroxy-butanoyl)piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C20H25FN4O5 MolecularWeight: 420.434703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25FN4O5/c1-3-23-10-13(20(29)30)18(27)12-8-14(21)16(9-15(12)23)24-4-6-25(7-5-24)19(28)17(22)11(2)26/h8-11,17,26H,3-7,22H2,1-2H3,(H,29,30)