N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzamide Traditional Name: 4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-piperonyl-benzamide Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)C)Br

InChI

InChI=1S/C21H20BrN3O3/c1-13-20(22)14(2)25(24-13)11-15-3-6-17(7-4-15)21(26)23-10-16-5-8-18-19(9-16)28-12-27-18/h3-9H,10-12H2,1-2H3,(H,23,26)