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

Systemtic Name: 9-[4-[4-[2-[(3-methoxyphenyl)methyl]-1-oxidanylidene-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]butyl]-N-[2,2,2-tris(fluoranyl)ethyl]thioxanthene-9-carboxamide Openeye Name: 9-[4-[4-[2-[(3-methoxyphenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide CAS Name: 9-[4-[4-[2-[(3-methoxyphenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-7-yl]-1-piperazinyl]butyl]-N-(2,2,2-trifluoroethyl)-9-thioxanthenecarboxamide IUPAC Name: 9-[4-[4-[2-[(3-methoxyphenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide Traditional Name: 9-[4-[4-(1-keto-2-m-anisyl-3,4-dihydroisoquinolin-7-yl)piperazino]butyl]-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide Formula: C41H43F3N4O3S MolecularWeight: 728.86533

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCCCC5(C6=CC=CC=C6SC7=CC=CC=C75)C(=O)NCC(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCCCC5(C6=CC=CC=C6SC7=CC=CC=C75)C(=O)NCC(F)(F)F

InChI

InChI=1S/C41H43F3N4O3S/c1-51-32-10-8-9-29(25-32)27-48-20-17-30-15-16-31(26-33(30)38(48)49)47-23-21-46(22-24-47)19-7-6-18-40(39(50)45-28-41(42,43)44)34-11-2-4-13-36(34)52-37-14-5-3-12-35(37)40/h2-5,8-16,25-26H,6-7,17-24,27-28H2,1H3,(H,45,50)