4-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[6-bromo-2-(trifluoromethyl)-4-quinazolinyl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C20H15BrF3N5O MolecularWeight: 478.26521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC(=NC4=C3C=C(C=C4)Br)C(F)(F)F

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC(=NC4=C3C=C(C=C4)Br)C(F)(F)F

InChI

InChI=1S/C20H15BrF3N5O/c1-11-16(18(30)29(28(11)2)13-6-4-3-5-7-13)26-17-14-10-12(21)8-9-15(14)25-19(27-17)20(22,23)24/h3-10H,1-2H3,(H,25,26,27)