3-(3-bromanyl-4-butan-2-yloxy-5-methoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: 3-(3-bromanyl-4-butan-2-yloxy-5-methoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: 3-(3-bromo-5-methoxy-4-sec-butoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: 3-(3-bromo-4-butan-2-yloxy-5-methoxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: 3-(3-bromo-4-butan-2-yloxy-5-methoxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: 3-(3-bromo-5-methoxy-4-sec-butoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C22H22BrN3O2 MolecularWeight: 440.33298

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=C(C=C1Br)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C)OC

Isomeric SMILES

CCC(C)OC1=C(C=C(C=C1Br)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C)OC

InChI

InChI=1S/C22H22BrN3O2/c1-5-14(3)28-21-17(23)10-15(11-20(21)27-4)9-16(12-24)22-25-18-7-6-13(2)8-19(18)26-22/h6-11,14H,5H2,1-4H3,(H,25,26)