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

Systemtic Name: 3-[(4-chloranyl-3-methoxy-phenyl)methyl]-1-(4-oxidanylcyclohexyl)-2-oxidanylidene-benzimidazole-5-carbonitrile Openeye Name: 3-[(4-chloro-3-methoxy-phenyl)methyl]-1-(4-hydroxycyclohexyl)-2-oxo-benzimidazole-5-carbonitrile CAS Name: 3-[(4-chloro-3-methoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)-2-oxo-5-benzimidazolecarbonitrile IUPAC Name: 3-[(4-chloro-3-methoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)-2-oxobenzimidazole-5-carbonitrile Traditional Name: 3-(4-chloro-3-methoxy-benzyl)-1-(4-hydroxycyclohexyl)-2-keto-benzimidazole-5-carbonitrile Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O3/c1-29-21-11-15(2-8-18(21)23)13-25-20-10-14(12-24)3-9-19(20)26(22(25)28)16-4-6-17(27)7-5-16/h2-3,8-11,16-17,27H,4-7,13H2,1H3