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

Systemtic Name: 7-[4-(2-azanylpropanoyl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(2-aminopropanoyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(2-amino-1-oxopropyl)-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(2-aminopropanoyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-alanylpiperazino)-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C20H23FN4O4 MolecularWeight: 402.419423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN4O4/c1-11(22)19(27)24-6-4-23(5-7-24)17-9-16-13(8-15(17)21)18(26)14(20(28)29)10-25(16)12-2-3-12/h8-12H,2-7,22H2,1H3,(H,28,29)