N-(3-ethynylphenyl)-3H-benzimidazole-5-carboxamide

Systemtic Name: N-(3-ethynylphenyl)-3H-benzimidazole-5-carboxamide Openeye Name: N-(3-ethynylphenyl)-3H-benzimidazole-5-carboxamide CAS Name: N-(3-ethynylphenyl)-3H-benzimidazole-5-carboxamide IUPAC Name: N-(3-ethynylphenyl)-3H-benzimidazole-5-carboxamide Traditional Name: N-(3-ethynylphenyl)-3H-benzimidazole-5-carboxamide Formula: C16H11N3O MolecularWeight: 261.27804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)N=CN3

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)N=CN3

InChI

InChI=1S/C16H11N3O/c1-2-11-4-3-5-13(8-11)19-16(20)12-6-7-14-15(9-12)18-10-17-14/h1,3-10H,(H,17,18)(H,19,20)