3-(3-bromanyl-4,5-diethoxy-phenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: 3-(3-bromanyl-4,5-diethoxy-phenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: 3-(3-bromo-4,5-diethoxy-phenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: 3-(3-bromo-4,5-diethoxyphenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: 3-(3-bromo-4,5-diethoxyphenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: 3-(3-bromo-4,5-diethoxy-phenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C22H22BrN3O2 MolecularWeight: 440.33298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=C(N2)C=C(C(=C3)C)C)Br)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=C(N2)C=C(C(=C3)C)C)Br)OCC

InChI

InChI=1S/C22H22BrN3O2/c1-5-27-20-11-15(10-17(23)21(20)28-6-2)9-16(12-24)22-25-18-7-13(3)14(4)8-19(18)26-22/h7-11H,5-6H2,1-4H3,(H,25,26)