2-chloranyl-6-(3,3-dimethylbut-1-ynyl)-N-isoquinolin-5-yl-pyridine-3-carboxamide

Systemtic Name: 2-chloranyl-6-(3,3-dimethylbut-1-ynyl)-N-isoquinolin-5-yl-pyridine-3-carboxamide Openeye Name: 2-chloro-6-(3,3-dimethylbut-1-ynyl)-N-(5-isoquinolyl)pyridine-3-carboxamide CAS Name: 2-chloro-6-(3,3-dimethylbut-1-ynyl)-N-(5-isoquinolinyl)-3-pyridinecarboxamide IUPAC Name: 2-chloro-6-(3,3-dimethylbut-1-ynyl)-N-isoquinolin-5-ylpyridine-3-carboxamide Traditional Name: 2-chloro-6-(3,3-dimethylbut-1-ynyl)-N-(5-isoquinolyl)nicotinamide Formula: C21H18ClN3O MolecularWeight: 363.84012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC1=NC(=C(C=C1)C(=O)NC2=CC=CC3=C2C=CN=C3)Cl

Isomeric SMILES

CC(C)(C)C#CC1=NC(=C(C=C1)C(=O)NC2=CC=CC3=C2C=CN=C3)Cl

InChI

InChI=1S/C21H18ClN3O/c1-21(2,3)11-9-15-7-8-17(19(22)24-15)20(26)25-18-6-4-5-14-13-23-12-10-16(14)18/h4-8,10,12-13H,1-3H3,(H,25,26)