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

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromanylpyrazol-1-yl)-2-methyl-propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromopyrazol-1-yl)-2-methyl-propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromo-1-pyrazolyl)-2-methylpropanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromopyrazol-1-yl)-2-methylpropanamide Traditional Name: (2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-piperonyl-propionamide Formula: C15H16BrN3O3 MolecularWeight: 366.20984

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(C=N1)Br)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@H](CN1C=C(C=N1)Br)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H16BrN3O3/c1-10(7-19-8-12(16)6-18-19)15(20)17-5-11-2-3-13-14(4-11)22-9-21-13/h2-4,6,8,10H,5,7,9H2,1H3,(H,17,20)/t10-/m1/s1