1-[(3R,3aR)-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-3a,4-dihydro-3H-[1,2]oxazolo[4,3-c]quinolin-5-yl]-2,2,2-tris(fluoranyl)ethanone

Systemtic Name: 1-[(3R,3aR)-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-3a,4-dihydro-3H-[1,2]oxazolo[4,3-c]quinolin-5-yl]-2,2,2-tris(fluoranyl)ethanone Openeye Name: 1-[(3R,3aR)-3-[[4-[(E)-cinnamyl]piperazin-1-yl]methyl]-3a,4-dihydro-3H-isoxazolo[4,3-c]quinolin-5-yl]-2,2,2-trifluoro-ethanone CAS Name: 1-[(3R,3aR)-3-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]-3a,4-dihydro-3H-isoxazolo[4,3-c]quinolin-5-yl]-2,2,2-trifluoroethanone IUPAC Name: 1-[(3R,3aR)-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-3a,4-dihydro-3H-[1,2]oxazolo[4,3-c]quinolin-5-yl]-2,2,2-trifluoroethanone Traditional Name: 1-[(3R,3aR)-3-[[4-[(E)-cinnamyl]piperazino]methyl]-3a,4-dihydro-3H-isoxazolo[4,3-c]quinolin-5-yl]-2,2,2-trifluoro-ethanone Formula: C26H27F3N4O2 MolecularWeight: 484.51339

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)CC3C4CN(C5=CC=CC=C5C4=NO3)C(=O)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)C[C@H]3[C@@H]4CN(C5=CC=CC=C5C4=NO3)C(=O)C(F)(F)F

InChI

InChI=1S/C26H27F3N4O2/c27-26(28,29)25(34)33-17-21-23(35-30-24(21)20-10-4-5-11-22(20)33)18-32-15-13-31(14-16-32)12-6-9-19-7-2-1-3-8-19/h1-11,21,23H,12-18H2/b9-6+/t21-,23-/m0/s1