4-[[2-(1,3-benzodioxol-5-yl)-4-chloranyl-phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[[2-(1,3-benzodioxol-5-yl)-4-chloranyl-phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzenecarbonitrile Openeye Name: 4-[[2-(1,3-benzodioxol-5-yl)-4-chloro-phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile CAS Name: 4-[[2-(1,3-benzodioxol-5-yl)-4-chlorophenyl]methoxy-(3-methyl-4-imidazolyl)methyl]benzonitrile IUPAC Name: 4-[[2-(1,3-benzodioxol-5-yl)-4-chlorophenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile Traditional Name: 4-[[2-(1,3-benzodioxol-5-yl)-4-chloro-benzyl]oxy-(3-methylimidazol-4-yl)methyl]benzonitrile Formula: C26H20ClN3O3 MolecularWeight: 457.9083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H20ClN3O3/c1-30-15-29-13-23(30)26(18-4-2-17(12-28)3-5-18)31-14-20-6-8-21(27)11-22(20)19-7-9-24-25(10-19)33-16-32-24/h2-11,13,15,26H,14,16H2,1H3