3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(5-bromanylquinolin-8-yl)benzamide

Systemtic Name: 3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(5-bromanylquinolin-8-yl)benzamide Openeye Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(5-bromo-8-quinolyl)benzamide CAS Name: 3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-(5-bromo-8-quinolinyl)benzamide IUPAC Name: 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(5-bromoquinolin-8-yl)benzamide Traditional Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(5-bromo-8-quinolyl)benzamide Formula: C22H18Br2N4O MolecularWeight: 514.21252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NC3=C4C(=C(C=C3)Br)C=CC=N4)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NC3=C4C(=C(C=C3)Br)C=CC=N4)C)Br

InChI

InChI=1S/C22H18Br2N4O/c1-13-20(24)14(2)28(27-13)12-15-5-3-6-16(11-15)22(29)26-19-9-8-18(23)17-7-4-10-25-21(17)19/h3-11H,12H2,1-2H3,(H,26,29)