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

Systemtic Name: 5-[(2-butyl-6-nitro-benzimidazol-1-yl)methyl]-2-phenyl-benzenecarbonitrile Openeye Name: 5-[(2-butyl-6-nitro-benzimidazol-1-yl)methyl]-2-phenyl-benzonitrile CAS Name: 5-[(2-butyl-6-nitro-1-benzimidazolyl)methyl]-2-phenylbenzonitrile IUPAC Name: 5-[(2-butyl-6-nitrobenzimidazol-1-yl)methyl]-2-phenylbenzonitrile Traditional Name: 5-[(2-butyl-6-nitro-benzimidazol-1-yl)methyl]-2-phenyl-benzonitrile Formula: C25H22N4O2 MolecularWeight: 410.46778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC(=C(C=C3)C4=CC=CC=C4)C#N)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC(=C(C=C3)C4=CC=CC=C4)C#N)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O2/c1-2-3-9-25-27-23-13-11-21(29(30)31)15-24(23)28(25)17-18-10-12-22(20(14-18)16-26)19-7-5-4-6-8-19/h4-8,10-15H,2-3,9,17H2,1H3