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

Systemtic Name: 7-[2-(cyanomethyl)-4-methyl-piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[2-(cyanomethyl)-4-methyl-piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[2-(cyanomethyl)-4-methyl-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[2-(cyanomethyl)-4-methylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[2-(cyanomethyl)-4-methyl-piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C20H21FN4O3 MolecularWeight: 384.404143

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)CC#N)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CN1CCN(C(C1)CC#N)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C20H21FN4O3/c1-23-6-7-24(13(10-23)4-5-22)18-9-17-14(8-16(18)21)19(26)15(20(27)28)11-25(17)12-2-3-12/h8-9,11-13H,2-4,6-7,10H2,1H3,(H,27,28)