3-[3-bromanyl-4-[(3-methylphenyl)methoxy]phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: 3-[3-bromanyl-4-[(3-methylphenyl)methoxy]phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: 3-[3-bromo-4-(m-tolylmethoxy)phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: 3-[3-bromo-4-[(3-methylphenyl)methoxy]phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: 3-[3-bromo-4-[(3-methylphenyl)methoxy]phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: 3-[3-bromo-4-(3-methylbenzyl)oxy-phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C25H20BrN3O MolecularWeight: 458.3498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC2=C(C=C(C=C2)C=C(C#N)C3=NC4=C(N3)C=C(C=C4)C)Br

Isomeric SMILES

CC1=CC(=CC=C1)COC2=C(C=C(C=C2)C=C(C#N)C3=NC4=C(N3)C=C(C=C4)C)Br

InChI

InChI=1S/C25H20BrN3O/c1-16-4-3-5-19(10-16)15-30-24-9-7-18(13-21(24)26)12-20(14-27)25-28-22-8-6-17(2)11-23(22)29-25/h3-13H,15H2,1-2H3,(H,28,29)