3-[2-(4-iodophenyl)-1-oxidanylidene-3,4-dihydroisoquinolin-8-yl]benzenecarbonitrile

Systemtic Name: 3-[2-(4-iodophenyl)-1-oxidanylidene-3,4-dihydroisoquinolin-8-yl]benzenecarbonitrile Openeye Name: 3-[2-(4-iodophenyl)-1-oxo-3,4-dihydroisoquinolin-8-yl]benzonitrile CAS Name: 3-[2-(4-iodophenyl)-1-oxo-3,4-dihydroisoquinolin-8-yl]benzonitrile IUPAC Name: 3-[2-(4-iodophenyl)-1-oxo-3,4-dihydroisoquinolin-8-yl]benzonitrile Traditional Name: 3-[2-(4-iodophenyl)-1-keto-3,4-dihydroisoquinolin-8-yl]benzonitrile Formula: C22H15IN2O MolecularWeight: 450.27177

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C(C=CC=C21)C3=CC=CC(=C3)C#N)C4=CC=C(C=C4)I

Isomeric SMILES

C1CN(C(=O)C2=C(C=CC=C21)C3=CC=CC(=C3)C#N)C4=CC=C(C=C4)I

InChI

InChI=1S/C22H15IN2O/c23-18-7-9-19(10-8-18)25-12-11-16-4-2-6-20(21(16)22(25)26)17-5-1-3-15(13-17)14-24/h1-10,13H,11-12H2