2-(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)ethanenitrile

Systemtic Name: 2-(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)ethanenitrile Openeye Name: 2-(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolyl)acetonitrile CAS Name: 2-(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)acetonitrile IUPAC Name: 2-(6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)acetonitrile Traditional Name: 2-(6-chloro-1-keto-2-methyl-4-phenyl-3-isoquinolyl)acetonitrile Formula: C18H13ClN2O MolecularWeight: 308.76162

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)CC#N

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)CC#N

InChI

InChI=1S/C18H13ClN2O/c1-21-16(9-10-20)17(12-5-3-2-4-6-12)15-11-13(19)7-8-14(15)18(21)22/h2-8,11H,9H2,1H3