N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-7-fluoranyl-2,3-dihydro-1-benzofuran-2-yl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-7-fluoranyl-2,3-dihydro-1-benzofuran-2-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydrobenzofuran-2-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[(2R)-5-(3,6-dimethyl-2-pyrazinyl)-7-fluoro-2,3-dihydrobenzofuran-2-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-coumaran-2-yl]methyl]adamantane-1-carboxamide Formula: C26H30FN3O2 MolecularWeight: 435.533703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=N1)C2=CC3=C(C(=C2)F)OC(C3)CNC(=O)C45CC6CC(C4)CC(C6)C5)C

Isomeric SMILES

CC1=CN=C(C(=N1)C2=CC3=C(C(=C2)F)O[C@H](C3)CNC(=O)C45CC6CC(C4)CC(C6)C5)C

InChI

InChI=1S/C26H30FN3O2/c1-14-12-28-15(2)23(30-14)19-6-20-7-21(32-24(20)22(27)8-19)13-29-25(31)26-9-16-3-17(10-26)5-18(4-16)11-26/h6,8,12,16-18,21H,3-5,7,9-11,13H2,1-2H3,(H,29,31)/t16?,17?,18?,21-,26?/m1/s1