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

Systemtic Name: 1-(3-tert-butylphenyl)-2-[5,6-dimethyl-2-(3-oxidanylpropylamino)benzimidazol-1-yl]ethanone Openeye Name: 1-(3-tert-butylphenyl)-2-[2-(3-hydroxypropylamino)-5,6-dimethyl-benzimidazol-1-yl]ethanone CAS Name: 1-(3-tert-butylphenyl)-2-[2-(3-hydroxypropylamino)-5,6-dimethyl-1-benzimidazolyl]ethanone IUPAC Name: 1-(3-tert-butylphenyl)-2-[2-(3-hydroxypropylamino)-5,6-dimethylbenzimidazol-1-yl]ethanone Traditional Name: 1-(3-tert-butylphenyl)-2-[2-(3-hydroxypropylamino)-5,6-dimethyl-benzimidazol-1-yl]ethanone Formula: C24H31N3O2 MolecularWeight: 393.52184

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O2/c1-16-12-20-21(13-17(16)2)27(23(26-20)25-10-7-11-28)15-22(29)18-8-6-9-19(14-18)24(3,4)5/h6,8-9,12-14,28H,7,10-11,15H2,1-5H3,(H,25,26)