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

Systemtic Name: (E)-3-(5-bromanyl-3-methoxy-2-prop-2-ynoxy-phenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(5-bromo-3-methoxy-2-prop-2-ynoxy-phenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(5-bromo-3-methoxy-2-prop-2-ynoxyphenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(5-bromo-3-methoxy-2-prop-2-ynoxyphenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(5-bromo-3-methoxy-2-propargyloxy-phenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C22H18BrN3O2 MolecularWeight: 436.30122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=CC(=CC(=C3OCC#C)OC)Br)C#N

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)/C(=C/C3=CC(=CC(=C3OCC#C)OC)Br)/C#N

InChI

InChI=1S/C22H18BrN3O2/c1-5-6-28-21-15(10-17(23)11-20(21)27-4)9-16(12-24)22-25-18-7-13(2)14(3)8-19(18)26-22/h1,7-11H,6H2,2-4H3,(H,25,26)/b16-9+