3-[(3,4-dimethoxyphenyl)methyl]-1-(4-oxidanylcyclohexyl)-2-oxidanylidene-benzimidazole-5-carbonitrile

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methyl]-1-(4-oxidanylcyclohexyl)-2-oxidanylidene-benzimidazole-5-carbonitrile Openeye Name: 3-[(3,4-dimethoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)-2-oxo-benzimidazole-5-carbonitrile CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)-2-oxo-5-benzimidazolecarbonitrile IUPAC Name: 3-[(3,4-dimethoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)-2-oxobenzimidazole-5-carbonitrile Traditional Name: 1-(4-hydroxycyclohexyl)-2-keto-3-veratryl-benzimidazole-5-carbonitrile Formula: C23H25N3O4 MolecularWeight: 407.4623

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4/c1-29-21-10-4-16(12-22(21)30-2)14-25-20-11-15(13-24)3-9-19(20)26(23(25)28)17-5-7-18(27)8-6-17/h3-4,9-12,17-18,27H,5-8,14H2,1-2H3