2-(6-methyl-1H-benzimidazol-2-yl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enenitrile

Systemtic Name: 2-(6-methyl-1H-benzimidazol-2-yl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enenitrile Openeye Name: 3-(4-isobutoxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: 2-(6-methyl-1H-benzimidazol-2-yl)-3-[4-(2-methylpropoxy)phenyl]-2-propenenitrile IUPAC Name: 2-(6-methyl-1H-benzimidazol-2-yl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enenitrile Traditional Name: 3-(4-isobutoxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC=C(C=C3)OCC(C)C)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC=C(C=C3)OCC(C)C)C#N

InChI

InChI=1S/C21H21N3O/c1-14(2)13-25-18-7-5-16(6-8-18)11-17(12-22)21-23-19-9-4-15(3)10-20(19)24-21/h4-11,14H,13H2,1-3H3,(H,23,24)