N-[(4-tert-butyl-3-fluoranyl-phenyl)methyl]-2-isoquinolin-5-yl-2-oxidanyl-ethanamide

Systemtic Name: N-[(4-tert-butyl-3-fluoranyl-phenyl)methyl]-2-isoquinolin-5-yl-2-oxidanyl-ethanamide Openeye Name: N-[(4-tert-butyl-3-fluoro-phenyl)methyl]-2-hydroxy-2-(5-isoquinolyl)acetamide CAS Name: N-[(4-tert-butyl-3-fluorophenyl)methyl]-2-hydroxy-2-(5-isoquinolinyl)acetamide IUPAC Name: N-[(4-tert-butyl-3-fluorophenyl)methyl]-2-hydroxy-2-isoquinolin-5-ylacetamide Traditional Name: N-(4-tert-butyl-3-fluoro-benzyl)-2-hydroxy-2-(5-isoquinolyl)acetamide Formula: C22H23FN2O2 MolecularWeight: 366.428623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)CNC(=O)C(C2=CC=CC3=C2C=CN=C3)O)F

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)CNC(=O)C(C2=CC=CC3=C2C=CN=C3)O)F

InChI

InChI=1S/C22H23FN2O2/c1-22(2,3)18-8-7-14(11-19(18)23)12-25-21(27)20(26)17-6-4-5-15-13-24-10-9-16(15)17/h4-11,13,20,26H,12H2,1-3H3,(H,25,27)