4-cyano-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide

Systemtic Name: 4-cyano-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Openeye Name: 4-cyano-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide CAS Name: 4-cyano-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]benzamide IUPAC Name: 4-cyano-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Traditional Name: 4-cyano-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide Formula: C21H13N3O MolecularWeight: 323.34742

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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)C#N

Isomeric SMILES

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H13N3O/c22-15-17-7-10-18(11-8-17)21(25)24-20-6-3-4-16(14-20)9-12-19-5-1-2-13-23-19/h1-8,10-11,13-14H,(H,24,25)