4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-pyrimidin-2-yl-benzamide

Systemtic Name: 4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-pyrimidin-2-yl-benzamide Openeye Name: 4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-pyrimidin-2-yl-benzamide CAS Name: 4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-(2-pyrimidinyl)benzamide IUPAC Name: 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-pyrimidin-2-ylbenzamide Traditional Name: 4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2-pyrimidyl)benzamide Formula: C17H16BrN5O MolecularWeight: 386.24584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=NC=CC=N3)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=NC=CC=N3)C)Br

InChI

InChI=1S/C17H16BrN5O/c1-11-15(18)12(2)23(22-11)10-13-4-6-14(7-5-13)16(24)21-17-19-8-3-9-20-17/h3-9H,10H2,1-2H3,(H,19,20,21,24)