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

Systemtic Name: ethyl 6,8-bis(fluoranyl)-1-[(3-fluorophenyl)methyl]-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate Openeye Name: ethyl 6,8-difluoro-1-[(3-fluorophenyl)methyl]-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylate CAS Name: 6,8-difluoro-1-[(3-fluorophenyl)methyl]-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6,8-difluoro-1-[(3-fluorophenyl)methyl]-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate Traditional Name: 6,8-difluoro-1-(3-fluorobenzyl)-4-keto-7-piperazino-quinoline-3-carboxylic acid ethyl ester Formula: C23H22F3N3O3 MolecularWeight: 445.43429

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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(=CC=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C23H22F3N3O3/c1-2-32-23(31)17-13-29(12-14-4-3-5-15(24)10-14)20-16(22(17)30)11-18(25)21(19(20)26)28-8-6-27-7-9-28/h3-5,10-11,13,27H,2,6-9,12H2,1H3