(E)-2-(1H-benzimidazol-2-yl)-3-(2,5-dimethoxy-4-pyrrolidin-1-yl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(2,5-dimethoxy-4-pyrrolidin-1-yl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(2,5-dimethoxy-4-pyrrolidin-1-yl-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[2,5-dimethoxy-4-(1-pyrrolidinyl)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(2,5-dimethoxy-4-pyrrolidino-phenyl)acrylonitrile Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=C(C#N)C2=NC3=CC=CC=C3N2)OC)N4CCCC4

Isomeric SMILES

COC1=CC(=C(C=C1/C=C(\C#N)/C2=NC3=CC=CC=C3N2)OC)N4CCCC4

InChI

InChI=1S/C22H22N4O2/c1-27-20-13-19(26-9-5-6-10-26)21(28-2)12-15(20)11-16(14-23)22-24-17-7-3-4-8-18(17)25-22/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3,(H,24,25)/b16-11+