3-(3-bromanylphenoxy)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]propanamide

Systemtic Name: 3-(3-bromanylphenoxy)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]propanamide Openeye Name: 3-(3-bromophenoxy)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]propanamide CAS Name: 3-(3-bromophenoxy)-N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]propanamide IUPAC Name: 3-(3-bromophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propanamide Traditional Name: 3-(3-bromophenoxy)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]propionamide Formula: C21H22BrN3O2 MolecularWeight: 428.32228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)CCOC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)CCOC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H22BrN3O2/c1-15-20(16(2)25(24-15)18-8-4-3-5-9-18)14-23-21(26)11-12-27-19-10-6-7-17(22)13-19/h3-10,13H,11-12,14H2,1-2H3,(H,23,26)