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

Systemtic Name: 9-[3-[4-[1-oxidanylidene-2-(1-phenylethyl)-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]propyl]-N-[2,2,2-tris(fluoranyl)ethyl]xanthene-9-carboxamide Openeye Name: 9-[3-[4-[1-oxo-2-(1-phenylethyl)-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]propyl]-N-(2,2,2-trifluoroethyl)xanthene-9-carboxamide CAS Name: 9-[3-[4-[1-oxo-2-(1-phenylethyl)-3,4-dihydroisoquinolin-7-yl]-1-piperazinyl]propyl]-N-(2,2,2-trifluoroethyl)-9-xanthenecarboxamide IUPAC Name: 9-[3-[4-[1-oxo-2-(1-phenylethyl)-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]propyl]-N-(2,2,2-trifluoroethyl)xanthene-9-carboxamide Traditional Name: 9-[3-[4-[1-keto-2-(1-phenylethyl)-3,4-dihydroisoquinolin-7-yl]piperazino]propyl]-N-(2,2,2-trifluoroethyl)xanthene-9-carboxamide Formula: C40H41F3N4O3 MolecularWeight: 682.77375

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCCC5(C6=CC=CC=C6OC7=CC=CC=C75)C(=O)NCC(F)(F)F

Isomeric SMILES

CC(C1=CC=CC=C1)N2CCC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCCC5(C6=CC=CC=C6OC7=CC=CC=C75)C(=O)NCC(F)(F)F

InChI

InChI=1S/C40H41F3N4O3/c1-28(29-10-3-2-4-11-29)47-21-18-30-16-17-31(26-32(30)37(47)48)46-24-22-45(23-25-46)20-9-19-39(38(49)44-27-40(41,42)43)33-12-5-7-14-35(33)50-36-15-8-6-13-34(36)39/h2-8,10-17,26,28H,9,18-25,27H2,1H3,(H,44,49)