4-bromanyl-N-[3-[(3,5-dimethylphenoxy)methyl]phenyl]-2-ethyl-pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-N-[3-[(3,5-dimethylphenoxy)methyl]phenyl]-2-ethyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[3-[(3,5-dimethylphenoxy)methyl]phenyl]-2-ethyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-[3-[(3,5-dimethylphenoxy)methyl]phenyl]-2-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[3-[(3,5-dimethylphenoxy)methyl]phenyl]-2-ethylpyrazole-3-carboxamide Traditional Name: 4-bromo-N-[3-[(3,5-dimethylphenoxy)methyl]phenyl]-2-ethyl-pyrazole-3-carboxamide Formula: C21H22BrN3O2 MolecularWeight: 428.32228

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)Br)C(=O)NC2=CC=CC(=C2)COC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCN1C(=C(C=N1)Br)C(=O)NC2=CC=CC(=C2)COC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C21H22BrN3O2/c1-4-25-20(19(22)12-23-25)21(26)24-17-7-5-6-16(11-17)13-27-18-9-14(2)8-15(3)10-18/h5-12H,4,13H2,1-3H3,(H,24,26)