N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-3H-benzimidazole-5-carboxamide Openeye Name: N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-3H-benzimidazole-5-carboxamide CAS Name: N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-3H-benzimidazole-5-carboxamide IUPAC Name: N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-3H-benzimidazole-5-carboxamide Traditional Name: N-(3-cyano-4-neopentyloxy-phenyl)-3H-benzimidazole-5-carboxamide Formula: C20H20N4O2 MolecularWeight: 348.3984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=CN3)C#N

Isomeric SMILES

CC(C)(C)COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=CN3)C#N

InChI

InChI=1S/C20H20N4O2/c1-20(2,3)11-26-18-7-5-15(8-14(18)10-21)24-19(25)13-4-6-16-17(9-13)23-12-22-16/h4-9,12H,11H2,1-3H3,(H,22,23)(H,24,25)