3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-(4-tert-butylphenyl)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN3O2/c1-21(2,3)14-4-7-16(8-5-14)24-19(26)10-11-25-13-23-18-9-6-15(22)12-17(18)20(25)27/h4-9,12-13H,10-11H2,1-3H3,(H,24,26)