5-[[2-(1,3-benzodioxol-5-yl)-4-cyano-phenyl]methoxy-(3-methylimidazol-4-yl)methyl]pyridine-2-carbonitrile

Systemtic Name: 5-[[2-(1,3-benzodioxol-5-yl)-4-cyano-phenyl]methoxy-(3-methylimidazol-4-yl)methyl]pyridine-2-carbonitrile Openeye Name: 5-[[2-(1,3-benzodioxol-5-yl)-4-cyano-phenyl]methoxy-(3-methylimidazol-4-yl)methyl]pyridine-2-carbonitrile CAS Name: 5-[[2-(1,3-benzodioxol-5-yl)-4-cyanophenyl]methoxy-(3-methyl-4-imidazolyl)methyl]-2-pyridinecarbonitrile IUPAC Name: 5-[[2-(1,3-benzodioxol-5-yl)-4-cyanophenyl]methoxy-(3-methylimidazol-4-yl)methyl]pyridine-2-carbonitrile Traditional Name: 5-[[2-(1,3-benzodioxol-5-yl)-4-cyano-benzyl]oxy-(3-methylimidazol-4-yl)methyl]picolinonitrile Formula: C26H19N5O3 MolecularWeight: 449.46076

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C(C2=CN=C(C=C2)C#N)OCC3=C(C=C(C=C3)C#N)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C=NC=C1C(C2=CN=C(C=C2)C#N)OCC3=C(C=C(C=C3)C#N)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H19N5O3/c1-31-15-29-13-23(31)26(19-4-6-21(11-28)30-12-19)32-14-20-3-2-17(10-27)8-22(20)18-5-7-24-25(9-18)34-16-33-24/h2-9,12-13,15,26H,14,16H2,1H3