1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 7-[4-[(E)-cinnamyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 7-[4-[(E)-cinnamyl]piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C26H26FN3O3 MolecularWeight: 447.501343

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC=CC5=CC=CC=C5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C/C=C/C5=CC=CC=C5)F)C(=O)O

InChI

InChI=1S/C26H26FN3O3/c27-22-15-20-23(30(19-8-9-19)17-21(25(20)31)26(32)33)16-24(22)29-13-11-28(12-14-29)10-4-7-18-5-2-1-3-6-18/h1-7,15-17,19H,8-14H2,(H,32,33)/b7-4+