cyanomethyl 1-cyclopropyl-7-(4-ethanoylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: cyanomethyl 1-cyclopropyl-7-(4-ethanoylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: cyanomethyl 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 7-(4-acetyl-1-piperazinyl)-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 7-(4-acetylpiperazino)-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid cyanomethyl ester Formula: C21H21FN4O4 MolecularWeight: 412.414243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN4O4/c1-13(27)24-5-7-25(8-6-24)19-11-18-15(10-17(19)22)20(28)16(21(29)30-9-4-23)12-26(18)14-2-3-14/h10-12,14H,2-3,5-9H2,1H3