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

Systemtic Name: 3-(5-bromanyl-2-propoxy-phenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: 3-(5-bromo-2-propoxy-phenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: 3-(5-bromo-2-propoxyphenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: 3-(5-bromo-2-propoxyphenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: 3-(5-bromo-2-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)Br)C=C(C#N)C2=NC3=C(N2)C=C(C(=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN3O/c1-4-7-26-20-6-5-17(22)11-15(20)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)