[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 1-ethyl-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 1-ethyl-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl] 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylate CAS Name: 1-ethyl-6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid [2-(4-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate Traditional Name: 1-ethyl-6-fluoro-4-keto-7-(4-methylpiperazino)quinoline-3-carboxylic acid [2-(4-bromoanilino)-2-keto-ethyl] ester Formula: C25H26BrFN4O4 MolecularWeight: 545.400743

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)OCC(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)OCC(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C25H26BrFN4O4/c1-3-30-14-19(25(34)35-15-23(32)28-17-6-4-16(26)5-7-17)24(33)18-12-20(27)22(13-21(18)30)31-10-8-29(2)9-11-31/h4-7,12-14H,3,8-11,15H2,1-2H3,(H,28,32)