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

Systemtic Name: 7-[4-(2-azanyl-3-methyl-pentanoyl)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(2-amino-3-methyl-pentanoyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(2-amino-3-methyl-1-oxopentyl)-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(2-amino-3-methylpentanoyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(2-amino-3-methyl-pentanoyl)piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H29FN4O4 MolecularWeight: 432.488463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29FN4O4/c1-4-13(3)19(24)21(29)27-8-6-26(7-9-27)18-11-17-14(10-16(18)23)20(28)15(22(30)31)12-25(17)5-2/h10-13,19H,4-9,24H2,1-3H3,(H,30,31)