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

Systemtic Name: 3-[(4-chlorophenyl)methyl]-1-(4-oxidanylcyclohexyl)-2-oxidanylidene-benzimidazole-5-carbonitrile Openeye Name: 3-[(4-chlorophenyl)methyl]-1-(4-hydroxycyclohexyl)-2-oxo-benzimidazole-5-carbonitrile CAS Name: 3-[(4-chlorophenyl)methyl]-1-(4-hydroxycyclohexyl)-2-oxo-5-benzimidazolecarbonitrile IUPAC Name: 3-[(4-chlorophenyl)methyl]-1-(4-hydroxycyclohexyl)-2-oxobenzimidazole-5-carbonitrile Traditional Name: 3-(4-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=C(C=C4)Cl)O

Isomeric SMILES

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

InChI

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