5-[4-[(but-2-ynoylamino)methyl]phenyl]-N-(2,6-dimethylphenyl)pyridine-3-carboxamide

Systemtic Name: 5-[4-[(but-2-ynoylamino)methyl]phenyl]-N-(2,6-dimethylphenyl)pyridine-3-carboxamide Openeye Name: 5-[4-[(but-2-ynoylamino)methyl]phenyl]-N-(2,6-dimethylphenyl)pyridine-3-carboxamide CAS Name: N-(2,6-dimethylphenyl)-5-[4-[(1-oxobut-2-ynylamino)methyl]phenyl]-3-pyridinecarboxamide IUPAC Name: 5-[4-[(but-2-ynoylamino)methyl]phenyl]-N-(2,6-dimethylphenyl)pyridine-3-carboxamide Traditional Name: 5-[4-[(but-2-ynoylamino)methyl]phenyl]-N-(2,6-dimethylphenyl)nicotinamide Formula: C25H23N3O2 MolecularWeight: 397.46902

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)NCC1=CC=C(C=C1)C2=CC(=CN=C2)C(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CC#CC(=O)NCC1=CC=C(C=C1)C2=CC(=CN=C2)C(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C25H23N3O2/c1-4-6-23(29)27-14-19-9-11-20(12-10-19)21-13-22(16-26-15-21)25(30)28-24-17(2)7-5-8-18(24)3/h5,7-13,15-16H,14H2,1-3H3,(H,27,29)(H,28,30)