3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-(2,6-diethylphenyl)propanamide

Systemtic Name: 3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-(2,6-diethylphenyl)propanamide Openeye Name: 3-(6-bromo-4-oxo-quinazolin-3-yl)-N-(2,6-diethylphenyl)propanamide CAS Name: 3-(6-bromo-4-oxo-3-quinazolinyl)-N-(2,6-diethylphenyl)propanamide IUPAC Name: 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,6-diethylphenyl)propanamide Traditional Name: 3-(6-bromo-4-keto-quinazolin-3-yl)-N-(2,6-diethylphenyl)propionamide Formula: C21H22BrN3O2 MolecularWeight: 428.32228

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C21H22BrN3O2/c1-3-14-6-5-7-15(4-2)20(14)24-19(26)10-11-25-13-23-18-9-8-16(22)12-17(18)21(25)27/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,24,26)