N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-piperonyl-propionamide Formula: C16H18BrN3O3 MolecularWeight: 380.23642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NCC2=CC3=C(C=C2)OCO3)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NCC2=CC3=C(C=C2)OCO3)C)Br

InChI

InChI=1S/C16H18BrN3O3/c1-10-16(17)11(2)20(19-10)6-5-15(21)18-8-12-3-4-13-14(7-12)23-9-22-13/h3-4,7H,5-6,8-9H2,1-2H3,(H,18,21)