5-[(2-butyl-6-nitro-4-oxidanyl-benzimidazol-1-yl)methyl]-2-phenyl-benzenecarbonitrile

Systemtic Name: 5-[(2-butyl-6-nitro-4-oxidanyl-benzimidazol-1-yl)methyl]-2-phenyl-benzenecarbonitrile Openeye Name: 5-[(2-butyl-4-hydroxy-6-nitro-benzimidazol-1-yl)methyl]-2-phenyl-benzonitrile CAS Name: 5-[(2-butyl-4-hydroxy-6-nitro-1-benzimidazolyl)methyl]-2-phenylbenzonitrile IUPAC Name: 5-[(2-butyl-4-hydroxy-6-nitrobenzimidazol-1-yl)methyl]-2-phenylbenzonitrile Traditional Name: 5-[(2-butyl-4-hydroxy-6-nitro-benzimidazol-1-yl)methyl]-2-phenyl-benzonitrile Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=C(C=C2N1CC3=CC(=C(C=C3)C4=CC=CC=C4)C#N)[N+](=O)[O-])O

Isomeric SMILES

CCCCC1=NC2=C(C=C(C=C2N1CC3=CC(=C(C=C3)C4=CC=CC=C4)C#N)[N+](=O)[O-])O

InChI

InChI=1S/C25H22N4O3/c1-2-3-9-24-27-25-22(13-20(29(31)32)14-23(25)30)28(24)16-17-10-11-21(19(12-17)15-26)18-7-5-4-6-8-18/h4-8,10-14,30H,2-3,9,16H2,1H3