2-[[5-cyano-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-4-phenyl-pyridin-3-yl]methylidene]propanedinitrile

Systemtic Name: 2-[[5-cyano-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-4-phenyl-pyridin-3-yl]methylidene]propanedinitrile Openeye Name: 2-[[5-cyano-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-4-phenyl-3-pyridyl]methylene]propanedinitrile CAS Name: 2-[[5-cyano-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-4-phenyl-3-pyridinyl]methylidene]propanedinitrile IUPAC Name: 2-[[5-cyano-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-4-phenylpyridin-3-yl]methylidene]propanedinitrile Traditional Name: 2-[[5-cyano-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-4-phenyl-3-pyridyl]methylene]malononitrile Formula: C27H21N5O MolecularWeight: 431.48854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=C(C(=C1C#N)C2=CC=CC=C2)C=C(C#N)C#N)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC1=NC(=C(C(=C1C#N)C2=CC=CC=C2)C=C(C#N)C#N)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C27H21N5O/c1-2-33-27-24(17-30)25(21-9-4-3-5-10-21)23(14-19(15-28)16-29)26(31-27)32-13-12-20-8-6-7-11-22(20)18-32/h3-11,14H,2,12-13,18H2,1H3