(E)-2-(1H-benzimidazol-2-yl)-3-(4-pentoxyphenyl)prop-2-enenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C21H21N3O/c1-2-3-6-13-25-18-11-9-16(10-12-18)14-17(15-22)21-23-19-7-4-5-8-20(19)24-21/h4-5,7-12,14H,2-3,6,13H2,1H3,(H,23,24)/b17-14+