2-(2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)ethanenitrile

Systemtic Name: 2-(2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)ethanenitrile Openeye Name: 2-(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolyl)acetonitrile CAS Name: 2-(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolinyl)acetonitrile IUPAC Name: 2-(2,6,7-trimethyl-1-oxo-4-phenylisoquinolin-3-yl)acetonitrile Traditional Name: 2-(1-keto-2,6,7-trimethyl-4-phenyl-3-isoquinolyl)acetonitrile Formula: C20H18N2O MolecularWeight: 302.36972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)CC#N)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)CC#N)C3=CC=CC=C3)C

InChI

InChI=1S/C20H18N2O/c1-13-11-16-17(12-14(13)2)20(23)22(3)18(9-10-21)19(16)15-7-5-4-6-8-15/h4-8,11-12H,9H2,1-3H3