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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-[(E)-3-(4-methoxyphenyl)acryloyl]piperazino]quinoline-3-carboxylic acid Formula: C26H26FN3O5 MolecularWeight: 479.500143

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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=C(C=C4)OC)F)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H26FN3O5/c1-3-28-16-20(26(33)34)25(32)19-14-21(27)23(15-22(19)28)29-10-12-30(13-11-29)24(31)9-6-17-4-7-18(35-2)8-5-17/h4-9,14-16H,3,10-13H2,1-2H3,(H,33,34)/b9-6+