5-[3-(but-2-ynoylamino)phenyl]-N-(2,6-dimethylphenyl)pyridine-3-carboxamide

Systemtic Name: 5-[3-(but-2-ynoylamino)phenyl]-N-(2,6-dimethylphenyl)pyridine-3-carboxamide Openeye Name: 5-[3-(but-2-ynoylamino)phenyl]-N-(2,6-dimethylphenyl)pyridine-3-carboxamide CAS Name: N-(2,6-dimethylphenyl)-5-[3-(1-oxobut-2-ynylamino)phenyl]-3-pyridinecarboxamide IUPAC Name: 5-[3-(but-2-ynoylamino)phenyl]-N-(2,6-dimethylphenyl)pyridine-3-carboxamide Traditional Name: 5-[3-(but-2-ynoylamino)phenyl]-N-(2,6-dimethylphenyl)nicotinamide Formula: C24H21N3O2 MolecularWeight: 383.44244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)NC1=CC=CC(=C1)C2=CC(=CN=C2)C(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CC#CC(=O)NC1=CC=CC(=C1)C2=CC(=CN=C2)C(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C24H21N3O2/c1-4-7-22(28)26-21-11-6-10-18(13-21)19-12-20(15-25-14-19)24(29)27-23-16(2)8-5-9-17(23)3/h5-6,8-15H,1-3H3,(H,26,28)(H,27,29)