ethyl 6,8-bis(fluoranyl)-1-[(4-methylphenyl)methyl]-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate

Systemtic Name: ethyl 6,8-bis(fluoranyl)-1-[(4-methylphenyl)methyl]-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate Openeye Name: ethyl 6,8-difluoro-4-oxo-7-piperazin-1-yl-1-(p-tolylmethyl)quinoline-3-carboxylate CAS Name: 6,8-difluoro-1-[(4-methylphenyl)methyl]-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6,8-difluoro-1-[(4-methylphenyl)methyl]-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate Traditional Name: 6,8-difluoro-4-keto-1-(4-methylbenzyl)-7-piperazino-quinoline-3-carboxylic acid ethyl ester Formula: C24H25F2N3O3 MolecularWeight: 441.470406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCNCC3)F)CC4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCNCC3)F)CC4=CC=C(C=C4)C

InChI

InChI=1S/C24H25F2N3O3/c1-3-32-24(31)18-14-29(13-16-6-4-15(2)5-7-16)21-17(23(18)30)12-19(25)22(20(21)26)28-10-8-27-9-11-28/h4-7,12,14,27H,3,8-11,13H2,1-2H3