3-(1-adamantylcarbonylamino)-N-[4-(trifluoromethyloxy)phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: 3-(1-adamantylcarbonylamino)-N-[4-(trifluoromethyloxy)phenyl]-1-benzofuran-2-carboxamide Openeye Name: 3-(adamantane-1-carbonylamino)-N-[4-(trifluoromethoxy)phenyl]benzofuran-2-carboxamide CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]-2-benzofurancarboxamide IUPAC Name: 3-(adamantane-1-carbonylamino)-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide Traditional Name: 3-(adamantane-1-carbonylamino)-N-[4-(trifluoromethoxy)phenyl]coumarilamide Formula: C27H25F3N2O4 MolecularWeight: 498.49361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=C(OC5=CC=CC=C54)C(=O)NC6=CC=C(C=C6)OC(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=C(OC5=CC=CC=C54)C(=O)NC6=CC=C(C=C6)OC(F)(F)F

InChI

InChI=1S/C27H25F3N2O4/c28-27(29,30)36-19-7-5-18(6-8-19)31-24(33)23-22(20-3-1-2-4-21(20)35-23)32-25(34)26-12-15-9-16(13-26)11-17(10-15)14-26/h1-8,15-17H,9-14H2,(H,31,33)(H,32,34)