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

Systemtic Name: 7-[4-(2-azanylpropanoyl)-3-methyl-piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(2-aminopropanoyl)-3-methyl-piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(2-amino-1-oxopropyl)-3-methyl-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(2-aminopropanoyl)-3-methylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-alanyl-3-methyl-piperazino)-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H25FN4O4 MolecularWeight: 416.446003

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(C)N)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CC1CN(CCN1C(=O)C(C)N)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C21H25FN4O4/c1-11-9-24(5-6-25(11)20(28)12(2)23)18-8-17-14(7-16(18)22)19(27)15(21(29)30)10-26(17)13-3-4-13/h7-8,10-13H,3-6,9,23H2,1-2H3,(H,29,30)