2-(4-chloranyl-2,6-dimethyl-phenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]ethanamide

Systemtic Name: 2-(4-chloranyl-2,6-dimethyl-phenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]ethanamide Openeye Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide CAS Name: 2-(4-chloro-2,6-dimethylphenoxy)-N-[2-(1-phenyl-4-pyrazolyl)ethyl]acetamide IUPAC Name: 2-(4-chloro-2,6-dimethylphenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide Traditional Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide Formula: C21H22ClN3O2 MolecularWeight: 383.87128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NCCC2=CN(N=C2)C3=CC=CC=C3)C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NCCC2=CN(N=C2)C3=CC=CC=C3)C)Cl

InChI

InChI=1S/C21H22ClN3O2/c1-15-10-18(22)11-16(2)21(15)27-14-20(26)23-9-8-17-12-24-25(13-17)19-6-4-3-5-7-19/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,26)