(E)-3-(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)-2-(6-methoxy-1H-benzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)-2-(6-methoxy-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)-2-(6-methoxy-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)-2-(6-methoxy-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)-2-(6-methoxy-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(3-bromo-5-methoxy-4-propargyloxy-phenyl)-2-(6-methoxy-1H-benzimidazol-2-yl)acrylonitrile Formula: C21H16BrN3O3 MolecularWeight: 438.27404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C(=C3)Br)OCC#C)OC)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC(=C(C(=C3)Br)OCC#C)OC)/C#N

InChI

InChI=1S/C21H16BrN3O3/c1-4-7-28-20-16(22)9-13(10-19(20)27-3)8-14(12-23)21-24-17-6-5-15(26-2)11-18(17)25-21/h1,5-6,8-11H,7H2,2-3H3,(H,24,25)/b14-8+