1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-[5,6-dimethyl-2-(prop-2-ynylamino)benzimidazol-1-yl]ethanone

Systemtic Name: 1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-[5,6-dimethyl-2-(prop-2-ynylamino)benzimidazol-1-yl]ethanone Openeye Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-[5,6-dimethyl-2-(prop-2-ynylamino)benzimidazol-1-yl]ethanone CAS Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[5,6-dimethyl-2-(prop-2-ynylamino)-1-benzimidazolyl]ethanone IUPAC Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[5,6-dimethyl-2-(prop-2-ynylamino)benzimidazol-1-yl]ethanone Traditional Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-[5,6-dimethyl-2-(propargylamino)benzimidazol-1-yl]ethanone Formula: C28H35N3O2 MolecularWeight: 445.5964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3O2/c1-10-11-29-26-30-22-12-17(2)18(3)13-23(22)31(26)16-24(32)19-14-20(27(4,5)6)25(33)21(15-19)28(7,8)9/h1,12-15,33H,11,16H2,2-9H3,(H,29,30)