(2S)-2-(4-bromanylphenoxy)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]propanamide

Systemtic Name: (2S)-2-(4-bromanylphenoxy)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]propanamide Openeye Name: (2S)-2-(4-bromophenoxy)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]propanamide CAS Name: (2S)-2-(4-bromophenoxy)-N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]propanamide IUPAC Name: (2S)-2-(4-bromophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propanamide Traditional Name: (2S)-2-(4-bromophenoxy)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]propionamide Formula: C21H22BrN3O2 MolecularWeight: 428.32228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C(C)OC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)[C@H](C)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrN3O2/c1-14-20(15(2)25(24-14)18-7-5-4-6-8-18)13-23-21(26)16(3)27-19-11-9-17(22)10-12-19/h4-12,16H,13H2,1-3H3,(H,23,26)/t16-/m0/s1