4-(4-oxidanylidenequinazolin-3-yl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide

Systemtic Name: 4-(4-oxidanylidenequinazolin-3-yl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide Openeye Name: 4-(4-oxoquinazolin-3-yl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide CAS Name: 4-(4-oxo-3-quinazolinyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide IUPAC Name: 4-(4-oxoquinazolin-3-yl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide Traditional Name: 4-(4-ketoquinazolin-3-yl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide Formula: C25H16F3N3O2 MolecularWeight: 447.40865

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)C3=CC=C(C=C3)C(=O)NCC#CC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)C3=CC=C(C=C3)C(=O)NCC#CC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C25H16F3N3O2/c26-25(27,28)19-7-3-5-17(15-19)6-4-14-29-23(32)18-10-12-20(13-11-18)31-16-30-22-9-2-1-8-21(22)24(31)33/h1-3,5,7-13,15-16H,14H2,(H,29,32)