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

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methyl]-1-(2-methyl-1-oxidanyl-propan-2-yl)-2-oxidanylidene-benzimidazole-5-carbonitrile Openeye Name: 3-[(3,4-dimethoxyphenyl)methyl]-1-(2-hydroxy-1,1-dimethyl-ethyl)-2-oxo-benzimidazole-5-carbonitrile CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-1-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-5-benzimidazolecarbonitrile IUPAC Name: 3-[(3,4-dimethoxyphenyl)methyl]-1-(1-hydroxy-2-methylpropan-2-yl)-2-oxobenzimidazole-5-carbonitrile Traditional Name: 1-(2-hydroxy-1,1-dimethyl-ethyl)-2-keto-3-veratryl-benzimidazole-5-carbonitrile Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4/c1-21(2,13-25)24-16-7-5-14(11-22)9-17(16)23(20(24)26)12-15-6-8-18(27-3)19(10-15)28-4/h5-10,25H,12-13H2,1-4H3