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

Systemtic Name: 2-(4-methylphenyl)carbonyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Openeye Name: 2-(4-methylbenzoyl)-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide CAS Name: 2-[(4-methylphenyl)-oxomethyl]-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]benzamide IUPAC Name: 2-(4-methylbenzoyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Traditional Name: 2-p-toluoyl-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide Formula: C28H20N2O2 MolecularWeight: 416.4706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

InChI

InChI=1S/C28H20N2O2/c1-20-12-15-22(16-13-20)27(31)25-10-2-3-11-26(25)28(32)30-24-9-6-7-21(19-24)14-17-23-8-4-5-18-29-23/h2-13,15-16,18-19H,1H3,(H,30,32)