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

Systemtic Name: 3-(3-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: 3-(3-bromo-5-ethoxy-4-prop-2-ynoxy-phenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: 3-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: 3-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: 3-(3-bromo-5-ethoxy-4-propargyloxy-phenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C23H20BrN3O2 MolecularWeight: 450.3278

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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#C

Isomeric SMILES

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

InChI

InChI=1S/C23H20BrN3O2/c1-5-7-29-22-18(24)11-16(12-21(22)28-6-2)10-17(13-25)23-26-19-8-14(3)15(4)9-20(19)27-23/h1,8-12H,6-7H2,2-4H3,(H,26,27)