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

Systemtic Name: 3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(4-methylpyrimidin-2-yl)benzamide Openeye Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(4-methylpyrimidin-2-yl)benzamide CAS Name: 3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-(4-methyl-2-pyrimidinyl)benzamide IUPAC Name: 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methylpyrimidin-2-yl)benzamide Traditional Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(4-methylpyrimidin-2-yl)benzamide Formula: C18H18BrN5O MolecularWeight: 400.27242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NC(=O)C2=CC(=CC=C2)CN3C(=C(C(=N3)C)Br)C

Isomeric SMILES

CC1=NC(=NC=C1)NC(=O)C2=CC(=CC=C2)CN3C(=C(C(=N3)C)Br)C

InChI

InChI=1S/C18H18BrN5O/c1-11-7-8-20-18(21-11)22-17(25)15-6-4-5-14(9-15)10-24-13(3)16(19)12(2)23-24/h4-9H,10H2,1-3H3,(H,20,21,22,25)