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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C3=C(C=CC(=C3)C#N)N(C2=O)C4(CCCC4)CO)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C3=C(C=CC(=C3)C#N)N(C2=O)C4(CCCC4)CO)Cl

InChI

InChI=1S/C22H22ClN3O3/c1-29-20-7-5-16(10-17(20)23)13-25-19-11-15(12-24)4-6-18(19)26(21(25)28)22(14-27)8-2-3-9-22/h4-7,10-11,27H,2-3,8-9,13-14H2,1H3