3-(1-tert-butyl-6-methoxy-isoquinolin-3-yl)benzenecarbonitrile

Systemtic Name: 3-(1-tert-butyl-6-methoxy-isoquinolin-3-yl)benzenecarbonitrile Openeye Name: 3-(1-tert-butyl-6-methoxy-3-isoquinolyl)benzonitrile CAS Name: 3-(1-tert-butyl-6-methoxy-3-isoquinolinyl)benzonitrile IUPAC Name: 3-(1-tert-butyl-6-methoxyisoquinolin-3-yl)benzonitrile Traditional Name: 3-(1-tert-butyl-6-methoxy-3-isoquinolyl)benzonitrile Formula: C21H20N2O MolecularWeight: 316.3963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C=CC(=CC2=CC(=N1)C3=CC=CC(=C3)C#N)OC

Isomeric SMILES

CC(C)(C)C1=C2C=CC(=CC2=CC(=N1)C3=CC=CC(=C3)C#N)OC

InChI

InChI=1S/C21H20N2O/c1-21(2,3)20-18-9-8-17(24-4)11-16(18)12-19(23-20)15-7-5-6-14(10-15)13-22/h5-12H,1-4H3