2-[3-(2-chloranyl-5-oxidanyl-phenyl)phenyl]-N-(cyanomethyl)-4-methyl-pentanamide

Systemtic Name: 2-[3-(2-chloranyl-5-oxidanyl-phenyl)phenyl]-N-(cyanomethyl)-4-methyl-pentanamide Openeye Name: 2-[3-(2-chloro-5-hydroxy-phenyl)phenyl]-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: 2-[3-(2-chloro-5-hydroxyphenyl)phenyl]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: 2-[3-(2-chloro-5-hydroxyphenyl)phenyl]-N-(cyanomethyl)-4-methylpentanamide Traditional Name: 2-[3-(2-chloro-5-hydroxy-phenyl)phenyl]-N-(cyanomethyl)-4-methyl-valeramide Formula: C20H21ClN2O2 MolecularWeight: 356.84594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=C(C=CC(=C2)O)Cl)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=C(C=CC(=C2)O)Cl)C(=O)NCC#N

InChI

InChI=1S/C20H21ClN2O2/c1-13(2)10-18(20(25)23-9-8-22)15-5-3-4-14(11-15)17-12-16(24)6-7-19(17)21/h3-7,11-13,18,24H,9-10H2,1-2H3,(H,23,25)