4-[(1-oxidanylidene-2H-isoquinolin-6-yl)oxymethyl]benzenecarbonitrile

Systemtic Name: 4-[(1-oxidanylidene-2H-isoquinolin-6-yl)oxymethyl]benzenecarbonitrile Openeye Name: 4-[(1-oxo-2H-isoquinolin-6-yl)oxymethyl]benzonitrile CAS Name: 4-[(1-oxo-2H-isoquinolin-6-yl)oxymethyl]benzonitrile IUPAC Name: 4-[(1-oxo-2H-isoquinolin-6-yl)oxymethyl]benzonitrile Traditional Name: 4-[(1-keto-2H-isoquinolin-6-yl)oxymethyl]benzonitrile Formula: C17H12N2O2 MolecularWeight: 276.28938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=CC3=C(C=C2)C(=O)NC=C3)C#N

Isomeric SMILES

C1=CC(=CC=C1COC2=CC3=C(C=C2)C(=O)NC=C3)C#N

InChI

InChI=1S/C17H12N2O2/c18-10-12-1-3-13(4-2-12)11-21-15-5-6-16-14(9-15)7-8-19-17(16)20/h1-9H,11H2,(H,19,20)