2-[2-(1-ethoxyisoquinolin-3-yl)phenyl]-1-oxidanylidene-isoquinoline-3-carbonitrile

Systemtic Name: 2-[2-(1-ethoxyisoquinolin-3-yl)phenyl]-1-oxidanylidene-isoquinoline-3-carbonitrile Openeye Name: 2-[2-(1-ethoxy-3-isoquinolyl)phenyl]-1-oxo-isoquinoline-3-carbonitrile CAS Name: 2-[2-(1-ethoxy-3-isoquinolinyl)phenyl]-1-oxo-3-isoquinolinecarbonitrile IUPAC Name: 2-[2-(1-ethoxyisoquinolin-3-yl)phenyl]-1-oxoisoquinoline-3-carbonitrile Traditional Name: 2-[2-(1-ethoxy-3-isoquinolyl)phenyl]-1-keto-isoquinoline-3-carbonitrile Formula: C27H19N3O2 MolecularWeight: 417.45866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=CC2=CC=CC=C21)C3=CC=CC=C3N4C(=CC5=CC=CC=C5C4=O)C#N

Isomeric SMILES

CCOC1=NC(=CC2=CC=CC=C21)C3=CC=CC=C3N4C(=CC5=CC=CC=C5C4=O)C#N

InChI

InChI=1S/C27H19N3O2/c1-2-32-26-21-11-5-3-10-19(21)16-24(29-26)23-13-7-8-14-25(23)30-20(17-28)15-18-9-4-6-12-22(18)27(30)31/h3-16H,2H2,1H3