N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-(4-oxidanylidenequinazolin-3-yl)butanamide

Systemtic Name: N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-(4-oxidanylidenequinazolin-3-yl)butanamide Openeye Name: N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-(4-oxoquinazolin-3-yl)butanamide CAS Name: N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-(4-oxo-3-quinazolinyl)butanamide IUPAC Name: N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-(4-oxoquinazolin-3-yl)butanamide Traditional Name: N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-(4-ketoquinazolin-3-yl)butyramide Formula: C21H21F3N4O2 MolecularWeight: 418.41225

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=C(C=C1)NC(=O)CCCN2C=NC3=CC=CC=C3C2=O)C(F)(F)F

Isomeric SMILES

CN(C)C1=CC(=C(C=C1)NC(=O)CCCN2C=NC3=CC=CC=C3C2=O)C(F)(F)F

InChI

InChI=1S/C21H21F3N4O2/c1-27(2)14-9-10-18(16(12-14)21(22,23)24)26-19(29)8-5-11-28-13-25-17-7-4-3-6-15(17)20(28)30/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,26,29)