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

Systemtic Name: (E)-3-(2-fluoranyl-4-piperidin-1-yl-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-[2-fluoro-4-(1-piperidyl)phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-[2-fluoro-4-(1-piperidinyl)phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(2-fluoro-4-piperidin-1-ylphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(2-fluoro-4-piperidino-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C22H21FN4 MolecularWeight: 360.427343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=C(C=C(C=C3)N4CCCCC4)F)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=C(C=C(C=C3)N4CCCCC4)F)/C#N

InChI

InChI=1S/C22H21FN4/c1-15-5-8-20-21(11-15)26-22(25-20)17(14-24)12-16-6-7-18(13-19(16)23)27-9-3-2-4-10-27/h5-8,11-13H,2-4,9-10H2,1H3,(H,25,26)/b17-12+