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

Systemtic Name: 3-[1-(4-bromanyl-3-chloranyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: 3-[1-(4-bromo-3-chloro-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: 3-[1-(4-bromo-3-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: 3-[1-(4-bromo-3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: 3-[1-(4-bromo-3-chloro-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C23H18BrClN4 MolecularWeight: 465.77282

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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=CC(=C(C=C4)Br)Cl)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H18BrClN4/c1-13-4-7-21-22(8-13)28-23(27-21)17(12-26)10-16-9-14(2)29(15(16)3)18-5-6-19(24)20(25)11-18/h4-11H,1-3H3,(H,27,28)