(6-fluoranyl-2-thiophen-2-yl-quinolin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

Systemtic Name: (6-fluoranyl-2-thiophen-2-yl-quinolin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-1-yl]-[6-fluoro-2-(2-thienyl)-4-quinolyl]methanone CAS Name: (6-fluoro-2-thiophen-2-yl-4-quinolinyl)-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methanone IUPAC Name: (6-fluoro-2-thiophen-2-ylquinolin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazino]-[6-fluoro-2-(2-thienyl)-4-quinolyl]methanone Formula: C27H24FN3OS MolecularWeight: 457.562363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)C(=O)C3=CC(=NC4=C3C=C(C=C4)F)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)C3=CC(=NC4=C3C=C(C=C4)F)C5=CC=CS5

InChI

InChI=1S/C27H24FN3OS/c28-21-10-11-24-22(18-21)23(19-25(29-24)26-9-5-17-33-26)27(32)31-15-13-30(14-16-31)12-4-8-20-6-2-1-3-7-20/h1-11,17-19H,12-16H2/b8-4+