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

Systemtic Name: 3-(3-bromanyl-4,5-diethoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: 3-(3-bromo-4,5-diethoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: 3-(3-bromo-4,5-diethoxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: 3-(3-bromo-4,5-diethoxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: 3-(3-bromo-4,5-diethoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C21H20BrN3O2 MolecularWeight: 426.3064

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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)Br)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN3O2/c1-4-26-19-11-14(10-16(22)20(19)27-5-2)9-15(12-23)21-24-17-7-6-13(3)8-18(17)25-21/h6-11H,4-5H2,1-3H3,(H,24,25)