3-(3-bromanyl-4-butan-2-yloxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: 3-(3-bromanyl-4-butan-2-yloxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: 3-(3-bromo-4-sec-butoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: 3-(3-bromo-4-butan-2-yloxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: 3-(3-bromo-4-butan-2-yloxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: 3-(3-bromo-4-sec-butoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C21H20BrN3O MolecularWeight: 410.307

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=C(C=C1)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C)Br

Isomeric SMILES

CCC(C)OC1=C(C=C(C=C1)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C)Br

InChI

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