3-[(3-bromanyl-4-methoxy-phenyl)methyl]-1-(oxan-4-yl)-2-oxidanylidene-benzimidazole-5-carbonitrile

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methyl]-1-(oxan-4-yl)-2-oxidanylidene-benzimidazole-5-carbonitrile Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methyl]-2-oxo-1-tetrahydropyran-4-yl-benzimidazole-5-carbonitrile CAS Name: 3-[(3-bromo-4-methoxyphenyl)methyl]-1-(4-oxanyl)-2-oxo-5-benzimidazolecarbonitrile IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methyl]-1-(oxan-4-yl)-2-oxobenzimidazole-5-carbonitrile Traditional Name: 3-(3-bromo-4-methoxy-benzyl)-2-keto-1-tetrahydropyran-4-yl-benzimidazole-5-carbonitrile Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C3=C(C=CC(=C3)C#N)N(C2=O)C4CCOCC4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C3=C(C=CC(=C3)C#N)N(C2=O)C4CCOCC4)Br

InChI

InChI=1S/C21H20BrN3O3/c1-27-20-5-3-15(10-17(20)22)13-24-19-11-14(12-23)2-4-18(19)25(21(24)26)16-6-8-28-9-7-16/h2-5,10-11,16H,6-9,13H2,1H3