(E)-2-(1H-benzimidazol-2-yl)-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)phenyl]prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(2-oxo-2-pyrrolidin-1-yl-ethoxy)phenyl]prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-[2-oxo-2-(1-pyrrolidinyl)ethoxy]phenyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(2-keto-2-pyrrolidino-ethoxy)phenyl]acrylonitrile Formula: C22H20N4O2 MolecularWeight: 372.4198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)COC2=CC=C(C=C2)C=C(C#N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CCN(C1)C(=O)COC2=CC=C(C=C2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H20N4O2/c23-14-17(22-24-19-5-1-2-6-20(19)25-22)13-16-7-9-18(10-8-16)28-15-21(27)26-11-3-4-12-26/h1-2,5-10,13H,3-4,11-12,15H2,(H,24,25)/b17-13+