1-ethyl-6-fluoranyl-7-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-[(E)-3-(2-furyl)prop-2-enoyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-7-[4-[(E)-3-(2-furyl)acryloyl]piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C23H22FN3O5 MolecularWeight: 439.436283

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C=CC4=CC=CO4)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)/C=C/C4=CC=CO4)F)C(=O)O

InChI

InChI=1S/C23H22FN3O5/c1-2-25-14-17(23(30)31)22(29)16-12-18(24)20(13-19(16)25)26-7-9-27(10-8-26)21(28)6-5-15-4-3-11-32-15/h3-6,11-14H,2,7-10H2,1H3,(H,30,31)/b6-5+