ethyl 1-[(4-bromophenyl)methyl]-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-[(4-bromophenyl)methyl]-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-[(4-bromophenyl)methyl]-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylate CAS Name: 1-[(4-bromophenyl)methyl]-6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-bromophenyl)methyl]-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate Traditional Name: 1-(4-bromobenzyl)-6-fluoro-4-keto-7-(4-methylpiperazino)quinoline-3-carboxylic acid ethyl ester Formula: C24H25BrFN3O3 MolecularWeight: 502.376003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCN(CC3)C)CC4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCN(CC3)C)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C24H25BrFN3O3/c1-3-32-24(31)19-15-29(14-16-4-6-17(25)7-5-16)21-13-22(20(26)12-18(21)23(19)30)28-10-8-27(2)9-11-28/h4-7,12-13,15H,3,8-11,14H2,1-2H3