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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methyl]-1-(4-oxidanylcyclohexyl)-2-oxidanylidene-benzimidazole-5-carbonitrile Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methyl]-1-(4-hydroxycyclohexyl)-2-oxo-benzimidazole-5-carbonitrile CAS Name: 3-[(3-bromo-4-methoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)-2-oxo-5-benzimidazolecarbonitrile IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)-2-oxobenzimidazole-5-carbonitrile Traditional Name: 3-(3-bromo-4-methoxy-benzyl)-1-(4-hydroxycyclohexyl)-2-keto-benzimidazole-5-carbonitrile Formula: C22H22BrN3O3 MolecularWeight: 456.33238

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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)C4CCC(CC4)O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C3=C(C=CC(=C3)C#N)N(C2=O)C4CCC(CC4)O)Br

InChI

InChI=1S/C22H22BrN3O3/c1-29-21-9-3-15(10-18(21)23)13-25-20-11-14(12-24)2-8-19(20)26(22(25)28)16-4-6-17(27)7-5-16/h2-3,8-11,16-17,27H,4-7,13H2,1H3