(2R)-3-(4-bromanylpyrazol-1-yl)-N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-methyl-propanamide

Systemtic Name: (2R)-3-(4-bromanylpyrazol-1-yl)-N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-methyl-propanamide Openeye Name: (2R)-N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(4-bromopyrazol-1-yl)-2-methyl-propanamide CAS Name: (2R)-N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(4-bromo-1-pyrazolyl)-2-methylpropanamide IUPAC Name: (2R)-N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(4-bromopyrazol-1-yl)-2-methylpropanamide Traditional Name: (2R)-N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(4-bromopyrazol-1-yl)-2-methyl-propionamide Formula: C16H16BrN3O4 MolecularWeight: 394.21994

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(C=N1)Br)C(=O)NC2=CC3=C(C=C2C(=O)C)OCO3

Isomeric SMILES

C[C@H](CN1C=C(C=N1)Br)C(=O)NC2=CC3=C(C=C2C(=O)C)OCO3

InChI

InChI=1S/C16H16BrN3O4/c1-9(6-20-7-11(17)5-18-20)16(22)19-13-4-15-14(23-8-24-15)3-12(13)10(2)21/h3-5,7,9H,6,8H2,1-2H3,(H,19,22)/t9-/m1/s1