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

Systemtic Name: 6-(3,3-dimethylbut-1-ynyl)-N-isoquinolin-5-yl-pyridine-3-carboxamide Openeye Name: 6-(3,3-dimethylbut-1-ynyl)-N-(5-isoquinolyl)pyridine-3-carboxamide CAS Name: 6-(3,3-dimethylbut-1-ynyl)-N-(5-isoquinolinyl)-3-pyridinecarboxamide IUPAC Name: 6-(3,3-dimethylbut-1-ynyl)-N-isoquinolin-5-ylpyridine-3-carboxamide Traditional Name: 6-(3,3-dimethylbut-1-ynyl)-N-(5-isoquinolyl)nicotinamide Formula: C21H19N3O MolecularWeight: 329.39506

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O/c1-21(2,3)11-9-17-8-7-16(14-23-17)20(25)24-19-6-4-5-15-13-22-12-10-18(15)19/h4-8,10,12-14H,1-3H3,(H,24,25)