(E)-2-(1H-benzimidazol-2-yl)-3-(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-fluoro-4-pyrrolidin-1-yl-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-fluoro-4-(1-pyrrolidinyl)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-fluoro-4-pyrrolidino-phenyl)acrylonitrile Formula: C20H17FN4 MolecularWeight: 332.374183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17FN4/c21-16-12-14(7-8-19(16)25-9-3-4-10-25)11-15(13-22)20-23-17-5-1-2-6-18(17)24-20/h1-2,5-8,11-12H,3-4,9-10H2,(H,23,24)/b15-11+