3,5-ditert-butyl-4-[6-(2-chloranyl-4-methoxy-phenoxy)hexyl]-1H-pyrazole

Systemtic Name: 3,5-ditert-butyl-4-[6-(2-chloranyl-4-methoxy-phenoxy)hexyl]-1H-pyrazole Openeye Name: 3,5-ditert-butyl-4-[6-(2-chloro-4-methoxy-phenoxy)hexyl]-1H-pyrazole CAS Name: 3,5-ditert-butyl-4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-1H-pyrazole IUPAC Name: 3,5-ditert-butyl-4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-1H-pyrazole Traditional Name: 3,5-ditert-butyl-4-[6-(2-chloro-4-methoxy-phenoxy)hexyl]-1H-pyrazole Formula: C24H37ClN2O2 MolecularWeight: 421.01578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=NN1)C(C)(C)C)CCCCCCOC2=C(C=C(C=C2)OC)Cl

Isomeric SMILES

CC(C)(C)C1=C(C(=NN1)C(C)(C)C)CCCCCCOC2=C(C=C(C=C2)OC)Cl

InChI

InChI=1S/C24H37ClN2O2/c1-23(2,3)21-18(22(27-26-21)24(4,5)6)12-10-8-9-11-15-29-20-14-13-17(28-7)16-19(20)25/h13-14,16H,8-12,15H2,1-7H3,(H,26,27)