3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-[4-(trifluoromethyloxy)phenyl]propanamide

Systemtic Name: 3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-[4-(trifluoromethyloxy)phenyl]propanamide Openeye Name: 3-(6-bromo-4-oxo-quinazolin-3-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide CAS Name: 3-(6-bromo-4-oxo-3-quinazolinyl)-N-[4-(trifluoromethoxy)phenyl]propanamide IUPAC Name: 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide Traditional Name: 3-(6-bromo-4-keto-quinazolin-3-yl)-N-[4-(trifluoromethoxy)phenyl]propionamide Formula: C18H13BrF3N3O3 MolecularWeight: 456.21333

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br)OC(F)(F)F

InChI

InChI=1S/C18H13BrF3N3O3/c19-11-1-6-15-14(9-11)17(27)25(10-23-15)8-7-16(26)24-12-2-4-13(5-3-12)28-18(20,21)22/h1-6,9-10H,7-8H2,(H,24,26)