N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-1-phenyl-pyrazole-4-carboxamide Formula: C20H20BrN3O3 MolecularWeight: 430.2951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=CN(N=C2)C3=CC=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=CN(N=C2)C3=CC=CC=C3)Br)OC

InChI

InChI=1S/C20H20BrN3O3/c1-26-18-10-14(17(21)11-19(18)27-2)8-9-22-20(25)15-12-23-24(13-15)16-6-4-3-5-7-16/h3-7,10-13H,8-9H2,1-2H3,(H,22,25)