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

Systemtic Name: 3-(3-bromanyl-4-propoxy-phenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: 3-(3-bromo-4-propoxy-phenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: 3-(3-bromo-4-propoxyphenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: 3-(3-bromo-4-propoxyphenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: 3-(3-bromo-4-propoxy-phenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C21H20BrN3O MolecularWeight: 410.307

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=C(C#N)C2=NC3=C(N2)C=C(C(=C3)C)C)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C=C(C#N)C2=NC3=C(N2)C=C(C(=C3)C)C)Br

InChI

InChI=1S/C21H20BrN3O/c1-4-7-26-20-6-5-15(11-17(20)22)10-16(12-23)21-24-18-8-13(2)14(3)9-19(18)25-21/h5-6,8-11H,4,7H2,1-3H3,(H,24,25)