(E)-3-(4-butoxyphenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3N2C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2C

InChI

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