N-(6-bromanyl-4-oxidanylidene-2-phenyl-1,2-dihydroquinazolin-3-yl)octanamide

Systemtic Name: N-(6-bromanyl-4-oxidanylidene-2-phenyl-1,2-dihydroquinazolin-3-yl)octanamide Openeye Name: N-(6-bromo-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)octanamide CAS Name: N-(6-bromo-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)octanamide IUPAC Name: N-(6-bromo-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)octanamide Traditional Name: N-(6-bromo-4-keto-2-phenyl-1,2-dihydroquinazolin-3-yl)caprylamide Formula: C22H26BrN3O2 MolecularWeight: 444.36474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NN1C(NC2=C(C1=O)C=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCC(=O)NN1C(NC2=C(C1=O)C=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C22H26BrN3O2/c1-2-3-4-5-9-12-20(27)25-26-21(16-10-7-6-8-11-16)24-19-14-13-17(23)15-18(19)22(26)28/h6-8,10-11,13-15,21,24H,2-5,9,12H2,1H3,(H,25,27)