(2S)-N-[2-(4-bromanylpyrazol-1-yl)ethyl]-2-(3,5-dimethylphenoxy)propanamide

Systemtic Name: (2S)-N-[2-(4-bromanylpyrazol-1-yl)ethyl]-2-(3,5-dimethylphenoxy)propanamide Openeye Name: (2S)-N-[2-(4-bromopyrazol-1-yl)ethyl]-2-(3,5-dimethylphenoxy)propanamide CAS Name: (2S)-N-[2-(4-bromo-1-pyrazolyl)ethyl]-2-(3,5-dimethylphenoxy)propanamide IUPAC Name: (2S)-N-[2-(4-bromopyrazol-1-yl)ethyl]-2-(3,5-dimethylphenoxy)propanamide Traditional Name: (2S)-N-[2-(4-bromopyrazol-1-yl)ethyl]-2-(3,5-dimethylphenoxy)propionamide Formula: C16H20BrN3O2 MolecularWeight: 366.2529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC(C)C(=O)NCCN2C=C(C=N2)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)O[C@@H](C)C(=O)NCCN2C=C(C=N2)Br)C

InChI

InChI=1S/C16H20BrN3O2/c1-11-6-12(2)8-15(7-11)22-13(3)16(21)18-4-5-20-10-14(17)9-19-20/h6-10,13H,4-5H2,1-3H3,(H,18,21)/t13-/m0/s1