9-[3-[4-[2-[(3-fluorophenyl)methyl]-1-oxidanylidene-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]propyl]-N-[2,2,2-tris(fluoranyl)ethyl]thioxanthene-9-carboxamide

Systemtic Name: 9-[3-[4-[2-[(3-fluorophenyl)methyl]-1-oxidanylidene-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]propyl]-N-[2,2,2-tris(fluoranyl)ethyl]thioxanthene-9-carboxamide Openeye Name: 9-[3-[4-[2-[(3-fluorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]propyl]-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide CAS Name: 9-[3-[4-[2-[(3-fluorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-7-yl]-1-piperazinyl]propyl]-N-(2,2,2-trifluoroethyl)-9-thioxanthenecarboxamide IUPAC Name: 9-[3-[4-[2-[(3-fluorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]propyl]-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide Traditional Name: 9-[3-[4-[2-(3-fluorobenzyl)-1-keto-3,4-dihydroisoquinolin-7-yl]piperazino]propyl]-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide Formula: C39H38F4N4O2S MolecularWeight: 702.803233

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C=CC(=C2)N3CCN(CC3)CCCC4(C5=CC=CC=C5SC6=CC=CC=C64)C(=O)NCC(F)(F)F)CC7=CC(=CC=C7)F

Isomeric SMILES

C1CN(C(=O)C2=C1C=CC(=C2)N3CCN(CC3)CCCC4(C5=CC=CC=C5SC6=CC=CC=C64)C(=O)NCC(F)(F)F)CC7=CC(=CC=C7)F

InChI

InChI=1S/C39H38F4N4O2S/c40-29-8-5-7-27(23-29)25-47-18-15-28-13-14-30(24-31(28)36(47)48)46-21-19-45(20-22-46)17-6-16-38(37(49)44-26-39(41,42)43)32-9-1-3-11-34(32)50-35-12-4-2-10-33(35)38/h1-5,7-14,23-24H,6,15-22,25-26H2,(H,44,49)