N-(4-tert-butylphenyl)-2-(1-oxidanylideneisoquinolin-2-yl)ethanamide

Systemtic Name: N-(4-tert-butylphenyl)-2-(1-oxidanylideneisoquinolin-2-yl)ethanamide Openeye Name: N-(4-tert-butylphenyl)-2-(1-oxo-2-isoquinolyl)acetamide CAS Name: N-(4-tert-butylphenyl)-2-(1-oxo-2-isoquinolinyl)acetamide IUPAC Name: N-(4-tert-butylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide Traditional Name: N-(4-tert-butylphenyl)-2-(1-keto-2-isoquinolyl)acetamide Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)CN2C=CC3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)CN2C=CC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H22N2O2/c1-21(2,3)16-8-10-17(11-9-16)22-19(24)14-23-13-12-15-6-4-5-7-18(15)20(23)25/h4-13H,14H2,1-3H3,(H,22,24)