3-[1-(4-bromanyl-2-fluoranyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: 3-[1-(4-bromanyl-2-fluoranyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: 3-[1-(4-bromo-2-fluoro-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: 3-[1-(4-bromo-2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: 3-[1-(4-bromo-2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: 3-[1-(4-bromo-2-fluoro-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C23H18BrFN4 MolecularWeight: 449.318223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=C(N(C(=C3)C)C4=C(C=C(C=C4)Br)F)C)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=C(N(C(=C3)C)C4=C(C=C(C=C4)Br)F)C)C#N

InChI

InChI=1S/C23H18BrFN4/c1-13-4-6-20-21(8-13)28-23(27-20)17(12-26)10-16-9-14(2)29(15(16)3)22-7-5-18(24)11-19(22)25/h4-11H,1-3H3,(H,27,28)