(E)-2-(1H-benzimidazol-2-yl)-3-[(4-hexoxyphenyl)amino]prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[(4-hexoxyphenyl)amino]prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(4-hexoxyanilino)prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(4-hexoxyanilino)-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(4-hexoxyanilino)prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(4-hexoxyanilino)acrylonitrile Formula: C22H24N4O MolecularWeight: 360.45216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)NC=C(C#N)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)N/C=C(\C#N)/C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C22H24N4O/c1-2-3-4-7-14-27-19-12-10-18(11-13-19)24-16-17(15-23)22-25-20-8-5-6-9-21(20)26-22/h5-6,8-13,16,24H,2-4,7,14H2,1H3,(H,25,26)/b17-16+