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

Systemtic Name: N-(5-bromanylquinolin-8-yl)-3-[(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methyl]benzamide Openeye Name: N-(5-bromo-8-quinolyl)-3-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]benzamide CAS Name: N-(5-bromo-8-quinolinyl)-3-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(5-bromoquinolin-8-yl)-3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzamide Traditional Name: N-(5-bromo-8-quinolyl)-3-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]benzamide Formula: C22H18BrClN4O MolecularWeight: 469.76152

Click to see the large picture

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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrClN4O/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)