2-(8-methyl-4-oxidanylidene-quinazolin-3-yl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]ethanamide

Systemtic Name: 2-(8-methyl-4-oxidanylidene-quinazolin-3-yl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]ethanamide Openeye Name: 2-(8-methyl-4-oxo-quinazolin-3-yl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide CAS Name: 2-(8-methyl-4-oxo-3-quinazolinyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide IUPAC Name: 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide Traditional Name: 2-(4-keto-8-methyl-quinazolin-3-yl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide Formula: C21H16F3N3O2 MolecularWeight: 399.36585

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CC(=O)NCC#CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CC(=O)NCC#CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H16F3N3O2/c1-14-5-2-9-17-19(14)26-13-27(20(17)29)12-18(28)25-10-4-7-15-6-3-8-16(11-15)21(22,23)24/h2-3,5-6,8-9,11,13H,10,12H2,1H3,(H,25,28)