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

Systemtic Name: 3-[[3,5-bis(chloranyl)-4-methoxy-phenyl]methyl]-1-(4-oxidanylcyclohexyl)-2-oxidanylidene-benzimidazole-5-carbonitrile Openeye Name: 3-[(3,5-dichloro-4-methoxy-phenyl)methyl]-1-(4-hydroxycyclohexyl)-2-oxo-benzimidazole-5-carbonitrile CAS Name: 3-[(3,5-dichloro-4-methoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)-2-oxo-5-benzimidazolecarbonitrile IUPAC Name: 3-[(3,5-dichloro-4-methoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)-2-oxobenzimidazole-5-carbonitrile Traditional Name: 3-(3,5-dichloro-4-methoxy-benzyl)-1-(4-hydroxycyclohexyl)-2-keto-benzimidazole-5-carbonitrile Formula: C22H21Cl2N3O3 MolecularWeight: 446.32644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)CN2C3=C(C=CC(=C3)C#N)N(C2=O)C4CCC(CC4)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1Cl)CN2C3=C(C=CC(=C3)C#N)N(C2=O)C4CCC(CC4)O)Cl

InChI

InChI=1S/C22H21Cl2N3O3/c1-30-21-17(23)8-14(9-18(21)24)12-26-20-10-13(11-25)2-7-19(20)27(22(26)29)15-3-5-16(28)6-4-15/h2,7-10,15-16,28H,3-6,12H2,1H3