2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,4-diethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,4-diethoxyphenyl)methyl]ethanamide Openeye Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,4-diethoxyphenyl)methyl]acetamide CAS Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-N-[(3,4-diethoxyphenyl)methyl]acetamide IUPAC Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,4-diethoxyphenyl)methyl]acetamide Traditional Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,4-diethoxybenzyl)acetamide Formula: C18H21BrF3N3O3 MolecularWeight: 464.27685

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)CN2C(=C(C(=N2)C(F)(F)F)Br)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)CN2C(=C(C(=N2)C(F)(F)F)Br)C)OCC

InChI

InChI=1S/C18H21BrF3N3O3/c1-4-27-13-7-6-12(8-14(13)28-5-2)9-23-15(26)10-25-11(3)16(19)17(24-25)18(20,21)22/h6-8H,4-5,9-10H2,1-3H3,(H,23,26)