1-(3,5-ditert-butylphenyl)-2-[5,6-dimethyl-2-(3-oxidanylpropylamino)benzimidazol-1-yl]ethanone

Systemtic Name: 1-(3,5-ditert-butylphenyl)-2-[5,6-dimethyl-2-(3-oxidanylpropylamino)benzimidazol-1-yl]ethanone Openeye Name: 1-(3,5-ditert-butylphenyl)-2-[2-(3-hydroxypropylamino)-5,6-dimethyl-benzimidazol-1-yl]ethanone CAS Name: 1-(3,5-ditert-butylphenyl)-2-[2-(3-hydroxypropylamino)-5,6-dimethyl-1-benzimidazolyl]ethanone IUPAC Name: 1-(3,5-ditert-butylphenyl)-2-[2-(3-hydroxypropylamino)-5,6-dimethylbenzimidazol-1-yl]ethanone Traditional Name: 1-(3,5-ditert-butylphenyl)-2-[2-(3-hydroxypropylamino)-5,6-dimethyl-benzimidazol-1-yl]ethanone Formula: C28H39N3O2 MolecularWeight: 449.62816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C(=N2)NCCCO)CC(=O)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=N2)NCCCO)CC(=O)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C28H39N3O2/c1-18-12-23-24(13-19(18)2)31(26(30-23)29-10-9-11-32)17-25(33)20-14-21(27(3,4)5)16-22(15-20)28(6,7)8/h12-16,32H,9-11,17H2,1-8H3,(H,29,30)