3-[(3,4-dimethoxyphenyl)methyl]-2-oxidanylidene-1-(1-oxidanylpropan-2-yl)benzimidazole-5-carbonitrile

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-oxidanylidene-1-(1-oxidanylpropan-2-yl)benzimidazole-5-carbonitrile Openeye Name: 3-[(3,4-dimethoxyphenyl)methyl]-1-(2-hydroxy-1-methyl-ethyl)-2-oxo-benzimidazole-5-carbonitrile CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-1-(1-hydroxypropan-2-yl)-2-oxo-5-benzimidazolecarbonitrile IUPAC Name: 3-[(3,4-dimethoxyphenyl)methyl]-1-(1-hydroxypropan-2-yl)-2-oxobenzimidazole-5-carbonitrile Traditional Name: 1-(2-hydroxy-1-methyl-ethyl)-2-keto-3-veratryl-benzimidazole-5-carbonitrile Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)N1C2=C(C=C(C=C2)C#N)N(C1=O)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(CO)N1C2=C(C=C(C=C2)C#N)N(C1=O)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H21N3O4/c1-13(12-24)23-16-6-4-14(10-21)8-17(16)22(20(23)25)11-15-5-7-18(26-2)19(9-15)27-3/h4-9,13,24H,11-12H2,1-3H3