3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide

Systemtic Name: 3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide Openeye Name: 3-(6-bromo-4-oxo-quinazolin-3-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide CAS Name: 3-(6-bromo-4-oxo-3-quinazolinyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide IUPAC Name: 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide Traditional Name: 3-(6-bromo-4-keto-quinazolin-3-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]propionamide Formula: C21H19BrF3N3O3 MolecularWeight: 498.29307

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C21H19BrF3N3O3/c1-2-9-31-18-6-3-13(21(23,24)25)10-17(18)27-19(29)7-8-28-12-26-16-5-4-14(22)11-15(16)20(28)30/h3-6,10-12H,2,7-9H2,1H3,(H,27,29)