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

Systemtic Name: (2S)-2-(4-bromanylphenoxy)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-propanamide Openeye Name: (2S)-2-(4-bromophenoxy)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-propanamide CAS Name: (2S)-2-(4-bromophenoxy)-N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-N-methylpropanamide IUPAC Name: (2S)-2-(4-bromophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide Traditional Name: (2S)-2-(4-bromophenoxy)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-propionamide Formula: C22H24BrN3O2 MolecularWeight: 442.34886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrN3O2/c1-15-21(16(2)26(24-15)19-8-6-5-7-9-19)14-25(4)22(27)17(3)28-20-12-10-18(23)11-13-20/h5-13,17H,14H2,1-4H3/t17-/m0/s1