(E)-3-(4-butoxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(4-butoxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(4-butoxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(4-butoxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(4-butoxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(4-butoxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C21H21N3O MolecularWeight: 331.41094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C2=NC3=C(N2)C=C(C=C3)C

InChI

InChI=1S/C21H21N3O/c1-3-4-11-25-18-8-6-16(7-9-18)13-17(14-22)21-23-19-10-5-15(2)12-20(19)24-21/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,24)/b17-13+