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

Systemtic Name: (2S)-3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-N-prop-2-enyl-propanamide Openeye Name: (2S)-N-allyl-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanamide CAS Name: (2S)-3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-2-methyl-N-prop-2-enylpropanamide IUPAC Name: (2S)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-prop-2-enylpropanamide Traditional Name: (2S)-N-allyl-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propionamide Formula: C12H18BrN3O MolecularWeight: 300.19482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C(=O)NCC=C)C)Br

Isomeric SMILES

CC1=C(C(=NN1C[C@H](C)C(=O)NCC=C)C)Br

InChI

InChI=1S/C12H18BrN3O/c1-5-6-14-12(17)8(2)7-16-10(4)11(13)9(3)15-16/h5,8H,1,6-7H2,2-4H3,(H,14,17)/t8-/m0/s1