2-fluoranyl-5-(2-isoquinolin-4-ylethynyl)-N-(3-methyl-4-propan-2-yl-phenyl)benzamide

Systemtic Name: 2-fluoranyl-5-(2-isoquinolin-4-ylethynyl)-N-(3-methyl-4-propan-2-yl-phenyl)benzamide Openeye Name: 2-fluoro-N-(4-isopropyl-3-methyl-phenyl)-5-[2-(4-isoquinolyl)ethynyl]benzamide CAS Name: 2-fluoro-5-[2-(4-isoquinolinyl)ethynyl]-N-(3-methyl-4-propan-2-ylphenyl)benzamide IUPAC Name: 2-fluoro-5-(2-isoquinolin-4-ylethynyl)-N-(3-methyl-4-propan-2-ylphenyl)benzamide Traditional Name: 2-fluoro-N-(4-isopropyl-3-methyl-phenyl)-5-[2-(4-isoquinolyl)ethynyl]benzamide Formula: C28H23FN2O MolecularWeight: 422.493423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=C(C=CC(=C2)C#CC3=CN=CC4=CC=CC=C43)F)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C(C=CC(=C2)C#CC3=CN=CC4=CC=CC=C43)F)C(C)C

InChI

InChI=1S/C28H23FN2O/c1-18(2)24-12-11-23(14-19(24)3)31-28(32)26-15-20(9-13-27(26)29)8-10-22-17-30-16-21-6-4-5-7-25(21)22/h4-7,9,11-18H,1-3H3,(H,31,32)