4-(4-chloranyl-2-methyl-phenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]butanamide

Systemtic Name: 4-(4-chloranyl-2-methyl-phenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]butanamide Openeye Name: 4-(4-chloro-2-methyl-phenoxy)-N-[3-[2-(2-pyridyl)ethynyl]phenyl]butanamide CAS Name: 4-(4-chloro-2-methylphenoxy)-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]butanamide IUPAC Name: 4-(4-chloro-2-methylphenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]butanamide Traditional Name: 4-(4-chloro-2-methyl-phenoxy)-N-[3-[2-(2-pyridyl)ethynyl]phenyl]butyramide Formula: C24H21ClN2O2 MolecularWeight: 404.88874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3

InChI

InChI=1S/C24H21ClN2O2/c1-18-16-20(25)11-13-23(18)29-15-5-9-24(28)27-22-8-4-6-19(17-22)10-12-21-7-2-3-14-26-21/h2-4,6-8,11,13-14,16-17H,5,9,15H2,1H3,(H,27,28)