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

Systemtic Name: 4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2-methylquinolin-4-yl)benzamide Openeye Name: 4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2-methyl-4-quinolyl)benzamide CAS Name: 4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-(2-methyl-4-quinolinyl)benzamide IUPAC Name: 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylquinolin-4-yl)benzamide Traditional Name: 4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2-methyl-4-quinolyl)benzamide Formula: C23H21BrN4O MolecularWeight: 449.34304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)C3=CC=C(C=C3)CN4C(=C(C(=N4)C)Br)C

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)C3=CC=C(C=C3)CN4C(=C(C(=N4)C)Br)C

InChI

InChI=1S/C23H21BrN4O/c1-14-12-21(19-6-4-5-7-20(19)25-14)26-23(29)18-10-8-17(9-11-18)13-28-16(3)22(24)15(2)27-28/h4-12H,13H2,1-3H3,(H,25,26,29)