(E)-3-(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(3-fluoro-4-pyrrolidin-1-yl-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-[3-fluoro-4-(1-pyrrolidinyl)phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(3-fluoro-4-pyrrolidino-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C21H19FN4 MolecularWeight: 346.400763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C=C3)N4CCCC4)F)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC(=C(C=C3)N4CCCC4)F)/C#N

InChI

InChI=1S/C21H19FN4/c1-14-4-6-18-19(10-14)25-21(24-18)16(13-23)11-15-5-7-20(17(22)12-15)26-8-2-3-9-26/h4-7,10-12H,2-3,8-9H2,1H3,(H,24,25)/b16-11+