2-[6-azanyl-2-(3-oxidanylpropylamino)benzimidazol-1-yl]-1-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanone

Systemtic Name: 2-[6-azanyl-2-(3-oxidanylpropylamino)benzimidazol-1-yl]-1-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanone Openeye Name: 2-[6-amino-2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone CAS Name: 2-[6-amino-2-(3-hydroxypropylamino)-1-benzimidazolyl]-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone IUPAC Name: 2-[6-amino-2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone Traditional Name: 2-[6-amino-2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone Formula: C26H36N4O3 MolecularWeight: 452.58904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CN2C3=C(C=CC(=C3)N)N=C2NCCCO

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CN2C3=C(C=CC(=C3)N)N=C2NCCCO

InChI

InChI=1S/C26H36N4O3/c1-25(2,3)18-12-16(13-19(23(18)33)26(4,5)6)22(32)15-30-21-14-17(27)8-9-20(21)29-24(30)28-10-7-11-31/h8-9,12-14,31,33H,7,10-11,15,27H2,1-6H3,(H,28,29)