4-(3,3-dimethylbut-1-ynyl)-N-isoquinolin-5-yl-3-(2-morpholin-4-ylethoxy)benzamide

Systemtic Name: 4-(3,3-dimethylbut-1-ynyl)-N-isoquinolin-5-yl-3-(2-morpholin-4-ylethoxy)benzamide Openeye Name: 4-(3,3-dimethylbut-1-ynyl)-N-(5-isoquinolyl)-3-(2-morpholinoethoxy)benzamide CAS Name: 4-(3,3-dimethylbut-1-ynyl)-N-(5-isoquinolinyl)-3-[2-(4-morpholinyl)ethoxy]benzamide IUPAC Name: 4-(3,3-dimethylbut-1-ynyl)-N-isoquinolin-5-yl-3-(2-morpholin-4-ylethoxy)benzamide Traditional Name: 4-(3,3-dimethylbut-1-ynyl)-N-(5-isoquinolyl)-3-(2-morpholinoethoxy)benzamide Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC1=C(C=C(C=C1)C(=O)NC2=CC=CC3=C2C=CN=C3)OCCN4CCOCC4

Isomeric SMILES

CC(C)(C)C#CC1=C(C=C(C=C1)C(=O)NC2=CC=CC3=C2C=CN=C3)OCCN4CCOCC4

InChI

InChI=1S/C28H31N3O3/c1-28(2,3)11-9-21-7-8-22(19-26(21)34-18-15-31-13-16-33-17-14-31)27(32)30-25-6-4-5-23-20-29-12-10-24(23)25/h4-8,10,12,19-20H,13-18H2,1-3H3,(H,30,32)