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

Systemtic Name: 2-[4-[(2-butyl-6-nitro-benzimidazol-1-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(2-butyl-6-nitro-benzimidazol-1-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(2-butyl-6-nitro-1-benzimidazolyl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(2-butyl-6-nitrobenzimidazol-1-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(2-butyl-6-nitro-benzimidazol-1-yl)methyl]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=C4C#N)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C=C(C=C2)[N+](=O)[O-]

InChI

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