N-[3-(2-pyridin-2-ylethynyl)phenyl]-4-(1,2,3,4-tetrazol-1-yl)benzamide

Systemtic Name: N-[3-(2-pyridin-2-ylethynyl)phenyl]-4-(1,2,3,4-tetrazol-1-yl)benzamide Openeye Name: N-[3-[2-(2-pyridyl)ethynyl]phenyl]-4-(tetrazol-1-yl)benzamide CAS Name: N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-4-(1-tetrazolyl)benzamide IUPAC Name: N-[3-(2-pyridin-2-ylethynyl)phenyl]-4-(tetrazol-1-yl)benzamide Traditional Name: N-[3-[2-(2-pyridyl)ethynyl]phenyl]-4-(tetrazol-1-yl)benzamide Formula: C21H14N6O MolecularWeight: 366.37546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)N4C=NN=N4

Isomeric SMILES

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)N4C=NN=N4

InChI

InChI=1S/C21H14N6O/c28-21(17-8-11-20(12-9-17)27-15-23-25-26-27)24-19-6-3-4-16(14-19)7-10-18-5-1-2-13-22-18/h1-6,8-9,11-15H,(H,24,28)