5-[2-[[4-(benzimidazol-1-yl)-2-methyl-butan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-benzenecarbonitrile

Systemtic Name: 5-[2-[[4-(benzimidazol-1-yl)-2-methyl-butan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-benzenecarbonitrile Openeye Name: 5-[2-[[3-(benzimidazol-1-yl)-1,1-dimethyl-propyl]amino]-1-hydroxy-ethyl]-2-hydroxy-benzonitrile CAS Name: 5-[2-[[4-(1-benzimidazolyl)-2-methylbutan-2-yl]amino]-1-hydroxyethyl]-2-hydroxybenzonitrile IUPAC Name: 5-[2-[[4-(benzimidazol-1-yl)-2-methylbutan-2-yl]amino]-1-hydroxyethyl]-2-hydroxybenzonitrile Traditional Name: 5-[2-[[3-(benzimidazol-1-yl)-1,1-dimethyl-propyl]amino]-1-hydroxy-ethyl]-2-hydroxy-benzonitrile Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCN1C=NC2=CC=CC=C21)NCC(C3=CC(=C(C=C3)O)C#N)O

Isomeric SMILES

CC(C)(CCN1C=NC2=CC=CC=C21)NCC(C3=CC(=C(C=C3)O)C#N)O

InChI

InChI=1S/C21H24N4O2/c1-21(2,9-10-25-14-23-17-5-3-4-6-18(17)25)24-13-20(27)15-7-8-19(26)16(11-15)12-22/h3-8,11,14,20,24,26-27H,9-10,13H2,1-2H3