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

Systemtic Name: 3-[(3-chlorophenyl)methyl]-1-(4-oxidanylcyclohexyl)-2-oxidanylidene-benzimidazole-5-carbonitrile Openeye Name: 3-[(3-chlorophenyl)methyl]-1-(4-hydroxycyclohexyl)-2-oxo-benzimidazole-5-carbonitrile CAS Name: 3-[(3-chlorophenyl)methyl]-1-(4-hydroxycyclohexyl)-2-oxo-5-benzimidazolecarbonitrile IUPAC Name: 3-[(3-chlorophenyl)methyl]-1-(4-hydroxycyclohexyl)-2-oxobenzimidazole-5-carbonitrile Traditional Name: 3-(3-chlorobenzyl)-1-(4-hydroxycyclohexyl)-2-keto-benzimidazole-5-carbonitrile Formula: C21H20ClN3O2 MolecularWeight: 381.8554

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2C3=C(C=C(C=C3)C#N)N(C2=O)CC4=CC(=CC=C4)Cl)O

Isomeric SMILES

C1CC(CCC1N2C3=C(C=C(C=C3)C#N)N(C2=O)CC4=CC(=CC=C4)Cl)O

InChI

InChI=1S/C21H20ClN3O2/c22-16-3-1-2-15(10-16)13-24-20-11-14(12-23)4-9-19(20)25(21(24)27)17-5-7-18(26)8-6-17/h1-4,9-11,17-18,26H,5-8,13H2