3-(4-butoxy-3-methoxy-phenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: 3-(4-butoxy-3-methoxy-phenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: 3-(4-butoxy-3-methoxy-phenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: 3-(4-butoxy-3-methoxyphenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: 3-(4-butoxy-3-methoxyphenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: 3-(4-butoxy-3-methoxy-phenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C23H25N3O2 MolecularWeight: 375.4635

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C(C#N)C2=NC3=C(N2)C=C(C(=C3)C)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C=C(C#N)C2=NC3=C(N2)C=C(C(=C3)C)C)OC

InChI

InChI=1S/C23H25N3O2/c1-5-6-9-28-21-8-7-17(13-22(21)27-4)12-18(14-24)23-25-19-10-15(2)16(3)11-20(19)26-23/h7-8,10-13H,5-6,9H2,1-4H3,(H,25,26)