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

Systemtic Name: 1,5-dimethyl-4-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-phenyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-4-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[[6-methyl-2-(trifluoromethyl)-4-quinazolinyl]amino]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-4-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-phenyl-3-pyrazolin-3-one Formula: C21H18F3N5O MolecularWeight: 413.39573

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C(F)(F)F

InChI

InChI=1S/C21H18F3N5O/c1-12-9-10-16-15(11-12)18(27-20(25-16)21(22,23)24)26-17-13(2)28(3)29(19(17)30)14-7-5-4-6-8-14/h4-11H,1-3H3,(H,25,26,27)