4-(3,3-dimethylbut-1-ynyl)-N-isoquinolin-5-yl-benzamide

Systemtic Name: 4-(3,3-dimethylbut-1-ynyl)-N-isoquinolin-5-yl-benzamide Openeye Name: 4-(3,3-dimethylbut-1-ynyl)-N-(5-isoquinolyl)benzamide CAS Name: 4-(3,3-dimethylbut-1-ynyl)-N-(5-isoquinolinyl)benzamide IUPAC Name: 4-(3,3-dimethylbut-1-ynyl)-N-isoquinolin-5-ylbenzamide Traditional Name: 4-(3,3-dimethylbut-1-ynyl)-N-(5-isoquinolyl)benzamide Formula: C22H20N2O MolecularWeight: 328.407

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O/c1-22(2,3)13-11-16-7-9-17(10-8-16)21(25)24-20-6-4-5-18-15-23-14-12-19(18)20/h4-10,12,14-15H,1-3H3,(H,24,25)