2,2-dimethyl-N-[4-oxidanylidene-6-[[prop-2-ynyl-[4-[2,2,2-tris(fluoranyl)ethanoyl]phenyl]amino]methyl]-1H-quinazolin-2-yl]propanamide

Systemtic Name: 2,2-dimethyl-N-[4-oxidanylidene-6-[[prop-2-ynyl-[4-[2,2,2-tris(fluoranyl)ethanoyl]phenyl]amino]methyl]-1H-quinazolin-2-yl]propanamide Openeye Name: 2,2-dimethyl-N-[4-oxo-6-[[N-prop-2-ynyl-4-(2,2,2-trifluoroacetyl)anilino]methyl]-1H-quinazolin-2-yl]propanamide CAS Name: 2,2-dimethyl-N-[4-oxo-6-[[N-prop-2-ynyl-4-(2,2,2-trifluoro-1-oxoethyl)anilino]methyl]-1H-quinazolin-2-yl]propanamide IUPAC Name: 2,2-dimethyl-N-[4-oxo-6-[[N-prop-2-ynyl-4-(2,2,2-trifluoroacetyl)anilino]methyl]-1H-quinazolin-2-yl]propanamide Traditional Name: N-[4-keto-6-[[N-propargyl-4-(2,2,2-trifluoroacetyl)anilino]methyl]-1H-quinazolin-2-yl]-2,2-dimethyl-propionamide Formula: C25H23F3N4O3 MolecularWeight: 484.47033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)C(F)(F)F

Isomeric SMILES

CC(C)(C)C(=O)NC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)C(F)(F)F

InChI

InChI=1S/C25H23F3N4O3/c1-5-12-32(17-9-7-16(8-10-17)20(33)25(26,27)28)14-15-6-11-19-18(13-15)21(34)30-23(29-19)31-22(35)24(2,3)4/h1,6-11,13H,12,14H2,2-4H3,(H2,29,30,31,34,35)