N-[[4-fluoranyl-2-(trifluoromethyl)phenyl]methyl]-3-(4-oxidanylidenequinazolin-3-yl)propanamide

Systemtic Name: N-[[4-fluoranyl-2-(trifluoromethyl)phenyl]methyl]-3-(4-oxidanylidenequinazolin-3-yl)propanamide Openeye Name: N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide CAS Name: N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide Traditional Name: N-[4-fluoro-2-(trifluoromethyl)benzyl]-3-(4-ketoquinazolin-3-yl)propionamide Formula: C19H15F4N3O2 MolecularWeight: 393.334913

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)CCC(=O)NCC3=C(C=C(C=C3)F)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)CCC(=O)NCC3=C(C=C(C=C3)F)C(F)(F)F

InChI

InChI=1S/C19H15F4N3O2/c20-13-6-5-12(15(9-13)19(21,22)23)10-24-17(27)7-8-26-11-25-16-4-2-1-3-14(16)18(26)28/h1-6,9,11H,7-8,10H2,(H,24,27)