ethyl 1-cyclopropyl-7-(3-ethanoyl-3-methyl-piperazin-1-yl)-5,6,8-tris(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-cyclopropyl-7-(3-ethanoyl-3-methyl-piperazin-1-yl)-5,6,8-tris(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-(3-acetyl-3-methyl-piperazin-1-yl)-1-cyclopropyl-5,6,8-trifluoro-4-oxo-quinoline-3-carboxylate CAS Name: 7-(3-acetyl-3-methyl-1-piperazinyl)-1-cyclopropyl-5,6,8-trifluoro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-(3-acetyl-3-methylpiperazin-1-yl)-1-cyclopropyl-5,6,8-trifluoro-4-oxoquinoline-3-carboxylate Traditional Name: 7-(3-acetyl-3-methyl-piperazino)-1-cyclopropyl-5,6,8-trifluoro-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C22H24F3N3O4 MolecularWeight: 451.43887

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)C(=C(C(=C2F)N3CCNC(C3)(C)C(=O)C)F)F)C4CC4

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)C(=C(C(=C2F)N3CCNC(C3)(C)C(=O)C)F)F)C4CC4

InChI

InChI=1S/C22H24F3N3O4/c1-4-32-21(31)13-9-28(12-5-6-12)18-14(20(13)30)15(23)16(24)19(17(18)25)27-8-7-26-22(3,10-27)11(2)29/h9,12,26H,4-8,10H2,1-3H3