1-[(4-bromanylphenoxy)methyl]-N-[2-(4-hydroxyphenyl)ethyl]pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromanylphenoxy)methyl]-N-[2-(4-hydroxyphenyl)ethyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-bromophenoxy)methyl]-N-[2-(4-hydroxyphenyl)ethyl]pyrazole-3-carboxamide CAS Name: 1-[(4-bromophenoxy)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromophenoxy)methyl]-N-[2-(4-hydroxyphenyl)ethyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-bromophenoxy)methyl]-N-[2-(4-hydroxyphenyl)ethyl]pyrazole-3-carboxamide Formula: C19H18BrN3O3 MolecularWeight: 416.26852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)Br)O

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)Br)O

InChI

InChI=1S/C19H18BrN3O3/c20-15-3-7-17(8-4-15)26-13-23-12-10-18(22-23)19(25)21-11-9-14-1-5-16(24)6-2-14/h1-8,10,12,24H,9,11,13H2,(H,21,25)