ethyl 1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate

Systemtic Name: ethyl 1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate Openeye Name: ethyl 1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylate CAS Name: 1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate Traditional Name: 1-(2,4-difluorophenyl)-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid ethyl ester Formula: C22H20F3N3O3 MolecularWeight: 431.40771

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCNCC3)C4=C(C=C(C=C4)F)F

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCNCC3)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C22H20F3N3O3/c1-2-31-22(30)15-12-28(18-4-3-13(23)9-16(18)24)19-11-20(27-7-5-26-6-8-27)17(25)10-14(19)21(15)29/h3-4,9-12,26H,2,5-8H2,1H3