(2S)-3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-(4-ethanoylphenyl)-2-methyl-propanamide

Systemtic Name: (2S)-3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-(4-ethanoylphenyl)-2-methyl-propanamide Openeye Name: (2S)-N-(4-acetylphenyl)-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanamide CAS Name: (2S)-N-(4-acetylphenyl)-3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-2-methylpropanamide IUPAC Name: (2S)-N-(4-acetylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpropanamide Traditional Name: (2S)-N-(4-acetylphenyl)-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propionamide Formula: C17H20BrN3O2 MolecularWeight: 378.2636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C(=O)NC2=CC=C(C=C2)C(=O)C)C)Br

Isomeric SMILES

CC1=C(C(=NN1C[C@H](C)C(=O)NC2=CC=C(C=C2)C(=O)C)C)Br

InChI

InChI=1S/C17H20BrN3O2/c1-10(9-21-12(3)16(18)11(2)20-21)17(23)19-15-7-5-14(6-8-15)13(4)22/h5-8,10H,9H2,1-4H3,(H,19,23)/t10-/m0/s1