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

Systemtic Name: 3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-phenethyl-benzamide Openeye Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-phenethyl-benzamide CAS Name: 3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-phenethylbenzamide IUPAC Name: 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-phenethylbenzamide Traditional Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-phenethyl-benzamide Formula: C21H22BrN3O MolecularWeight: 412.32288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NCCC3=CC=CC=C3)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NCCC3=CC=CC=C3)C)Br

InChI

InChI=1S/C21H22BrN3O/c1-15-20(22)16(2)25(24-15)14-18-9-6-10-19(13-18)21(26)23-12-11-17-7-4-3-5-8-17/h3-10,13H,11-12,14H2,1-2H3,(H,23,26)