2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-cyclohexyl-4-oxidanylidene-quinazolin-3-yl)ethanamide

Systemtic Name: 2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-cyclohexyl-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-cyclohexyl-4-oxo-quinazolin-3-yl)acetamide CAS Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-N-(2-cyclohexyl-4-oxo-3-quinazolinyl)acetamide IUPAC Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)acetamide Traditional Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-cyclohexyl-4-keto-quinazolin-3-yl)acetamide Formula: C21H21BrF3N5O2 MolecularWeight: 512.32295

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NN2C(=NC3=CC=CC=C3C2=O)C4CCCCC4)C(F)(F)F)Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NN2C(=NC3=CC=CC=C3C2=O)C4CCCCC4)C(F)(F)F)Br

InChI

InChI=1S/C21H21BrF3N5O2/c1-12-17(22)18(21(23,24)25)28-29(12)11-16(31)27-30-19(13-7-3-2-4-8-13)26-15-10-6-5-9-14(15)20(30)32/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,27,31)