1-ethyl-6-fluoranyl-7-[4-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[2-oxo-2-(p-tolyl)ethyl]piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[2-(4-methylphenyl)-2-oxoethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-[2-(4-methylphenyl)-2-oxoethyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-[2-keto-2-(p-tolyl)ethyl]piperazino]quinoline-3-carboxylic acid Formula: C25H26FN3O4 MolecularWeight: 451.490043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26FN3O4/c1-3-28-14-19(25(32)33)24(31)18-12-20(26)22(13-21(18)28)29-10-8-27(9-11-29)15-23(30)17-6-4-16(2)5-7-17/h4-7,12-14H,3,8-11,15H2,1-2H3,(H,32,33)