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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-(2-naphthalen-1-ylethanoyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-[2-(1-naphthyl)acetyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[2-(1-naphthalenyl)-1-oxoethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-[2-(1-naphthyl)acetyl]piperazino]quinoline-3-carboxylic acid Formula: C28H26FN3O4 MolecularWeight: 487.522143

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)CC4=CC=CC5=CC=CC=C54)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)CC4=CC=CC5=CC=CC=C54)F)C(=O)O

InChI

InChI=1S/C28H26FN3O4/c1-2-30-17-22(28(35)36)27(34)21-15-23(29)25(16-24(21)30)31-10-12-32(13-11-31)26(33)14-19-8-5-7-18-6-3-4-9-20(18)19/h3-9,15-17H,2,10-14H2,1H3,(H,35,36)