9-[3-[4-[2-(oxan-2-ylmethyl)-3-oxidanylidene-1H-isoindol-5-yl]piperazin-1-yl]propyl]-N-[2,2,2-tris(fluoranyl)ethyl]xanthene-9-carboxamide

Systemtic Name: 9-[3-[4-[2-(oxan-2-ylmethyl)-3-oxidanylidene-1H-isoindol-5-yl]piperazin-1-yl]propyl]-N-[2,2,2-tris(fluoranyl)ethyl]xanthene-9-carboxamide Openeye Name: 9-[3-[4-[3-oxo-2-(tetrahydropyran-2-ylmethyl)isoindolin-5-yl]piperazin-1-yl]propyl]-N-(2,2,2-trifluoroethyl)xanthene-9-carboxamide CAS Name: 9-[3-[4-[2-(2-oxanylmethyl)-3-oxo-1H-isoindol-5-yl]-1-piperazinyl]propyl]-N-(2,2,2-trifluoroethyl)-9-xanthenecarboxamide IUPAC Name: 9-[3-[4-[2-(oxan-2-ylmethyl)-3-oxo-1H-isoindol-5-yl]piperazin-1-yl]propyl]-N-(2,2,2-trifluoroethyl)xanthene-9-carboxamide Traditional Name: 9-[3-[4-[3-keto-2-(tetrahydropyran-2-ylmethyl)isoindolin-5-yl]piperazino]propyl]-N-(2,2,2-trifluoroethyl)xanthene-9-carboxamide Formula: C37H41F3N4O4 MolecularWeight: 662.74105

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CN2CC3=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

C1CCOC(C1)CN2CC3=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/C37H41F3N4O4/c38-37(39,40)25-41-35(46)36(30-9-1-3-11-32(30)48-33-12-4-2-10-31(33)36)15-7-16-42-17-19-43(20-18-42)27-14-13-26-23-44(34(45)29(26)22-27)24-28-8-5-6-21-47-28/h1-4,9-14,22,28H,5-8,15-21,23-25H2,(H,41,46)