5,5-dimethyl-2-[[[4-oxidanylidene-2-(trifluoromethyl)quinazolin-3-yl]amino]methylidene]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[[[4-oxidanylidene-2-(trifluoromethyl)quinazolin-3-yl]amino]methylidene]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[[[4-oxo-2-(trifluoromethyl)quinazolin-3-yl]amino]methylene]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[[[4-oxo-2-(trifluoromethyl)-3-quinazolinyl]amino]methylidene]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[[[4-oxo-2-(trifluoromethyl)quinazolin-3-yl]amino]methylidene]cyclohexane-1,3-dione Traditional Name: 2-[[[4-keto-2-(trifluoromethyl)quinazolin-3-yl]amino]methylene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C18H16F3N3O3 MolecularWeight: 379.33315

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CNN2C(=O)C3=CC=CC=C3N=C2C(F)(F)F)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=CNN2C(=O)C3=CC=CC=C3N=C2C(F)(F)F)C(=O)C1)C

InChI

InChI=1S/C18H16F3N3O3/c1-17(2)7-13(25)11(14(26)8-17)9-22-24-15(27)10-5-3-4-6-12(10)23-16(24)18(19,20)21/h3-6,9,22H,7-8H2,1-2H3